2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2,6-dimethylphenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methyl-N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

C125H144ClN25O15 — CID 158723692

IUPAC2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2,6-dimethylphenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methyl-N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(C)c1N(c1ccccc1)c1ncc(C(=O)NCCCCCCC(=O)NO)cn1.Cc1ccccc1N(c1ccccc1)c1ncc(C(=O)NCCCCCCC(=O)NO)cn1.Cc1ccccc1N(c1ncc(C(=O)NCCCCCCC(=O)NO)cn1)c1ccccc1C.O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO.O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1)NO
InChIInChI=1S/2C26H31N5O3.C25H29N5O3.C24H26ClN5O3.C24H27N5O3/c1-19-11-10-12-20(2)24(19)31(22-13-6-5-7-14-22)26-28-17-21(18-29-26)25(33)27-16-9-4-3-8-15-23(32)30-34;1-19-11-6-8-13-22(19)31(23-14-9-7-12-20(23)2)26-28-17-21(18-29-26)25(33)27-16-10-4-3-5-15-24(32)30-34;1-19-11-8-9-14-22(19)30(21-12-5-4-6-13-21)25-27-17-20(18-28-25)24(32)26-16-10-3-2-7-15-23(31)29-33;25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33;30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h5-7,10-14,17-18,34H,3-4,8-9,15-16H2,1-2H3,(H,27,33)(H,30,32);6-9,11-14,17-18,34H,3-5,10,15-16H2,1-2H3,(H,27,33)(H,30,32);4-6,8-9,11-14,17-18,33H,2-3,7,10,15-16H2,1H3,(H,26,32)(H,29,31);3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31);3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
InChIKeyIKFPGHUENGCACD-UHFFFAOYSA-N
MW2272.14 g/mol
LogP22.86
Rot. Bonds55

About 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2,6-dimethylphenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methyl-N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide

2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2,6-dimethylphenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methyl-N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide (PubChem CID 158723692) has the molecular formula C125H144ClN25O15 and a molecular weight of 2272.14 g/mol. Its IUPAC name is 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2,6-dimethylphenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methyl-N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2,6-dimethylphenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methyl-N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide
PubChem CID158723692
Molecular FormulaC125H144ClN25O15
Molecular Weight2272.14 g/mol
Exact Mass2270.10
IUPAC Name2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2,6-dimethylphenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methyl-N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(C)c1N(c1ccccc1)c1ncc(C(=O)NCCCCCCC(=O)NO)cn1.Cc1ccccc1N(c1ccccc1)c1ncc(C(=O)NCCCCCCC(=O)NO)cn1.Cc1ccccc1N(c1ncc(C(=O)NCCCCCCC(=O)NO)cn1)c1ccccc1C.O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO.O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1)NO
InChIInChI=1S/2C26H31N5O3.C25H29N5O3.C24H26ClN5O3.C24H27N5O3/c1-19-11-10-12-20(2)24(19)31(22-13-6-5-7-14-22)26-28-17-21(18-29-26)25(33)27-16-9-4-3-8-15-23(32)30-34;1-19-11-6-8-13-22(19)31(23-14-9-7-12-20(23)2)26-28-17-21(18-29-26)25(33)27-16-10-4-3-5-15-24(32)30-34;1-19-11-8-9-14-22(19)30(21-12-5-4-6-13-21)25-27-17-20(18-28-25)24(32)26-16-10-3-2-7-15-23(31)29-33;25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33;30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h5-7,10-14,17-18,34H,3-4,8-9,15-16H2,1-2H3,(H,27,33)(H,30,32);6-9,11-14,17-18,34H,3-5,10,15-16H2,1-2H3,(H,27,33)(H,30,32);4-6,8-9,11-14,17-18,33H,2-3,7,10,15-16H2,1H3,(H,26,32)(H,29,31);3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31);3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)
InChIKeyIKFPGHUENGCACD-UHFFFAOYSA-N
XLogP22.86
TPSA537.25 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds55
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002272.14
LogP ≤ 522.86
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2,6-dimethylphenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methyl-N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methyl-N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide
CID 53340427
2-(N-(2-chlorophenyl)anilino)-N-(7-oxoheptyl)pyrimidine-5-carboxamide
CID 144828646
2-(N-(2-chlorophenyl)anilino)-N'-hydroxypyrimidine-5-carbohydrazide
CID 163503763
2-(N-[(3Z)-4-chlorohexa-1,3-dien-3-yl]anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide
CID 145387976
2-(N-[(3E)-hexa-1,3-dien-3-yl]anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide
CID 144828571
ethane;methyl 7-[[2-(N-phenylanilino)pyrimidine-5-carbonyl]amino]heptanoate;molecular hydrogen
CID 144754938
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(4-hydroxy-4-phenylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 87356098
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide
CID 53340782
4-(dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 3811
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide
CID 122548362
4-[di(pyrimidin-2-yl)amino]-N-[7-(hydroxyamino)-7-oxoheptyl]-N-methylbenzamide
CID 53339180
4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 10133172

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2,6-dimethylphenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methyl-N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide?
The IUPAC name of 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2,6-dimethylphenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methyl-N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide (CID 158723692) is 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2,6-dimethylphenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methyl-N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2,6-dimethylphenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methyl-N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2,6-dimethylphenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methyl-N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide is Cc1cccc(C)c1N(c1ccccc1)c1ncc(C(=O)NCCCCCCC(=O)NO)cn1.Cc1ccccc1N(c1ccccc1)c1ncc(C(=O)NCCCCCCC(=O)NO)cn1.Cc1ccccc1N(c1ncc(C(=O)NCCCCCCC(=O)NO)cn1)c1ccccc1C.O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO.O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1)NO.
What is the InChIKey of 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2,6-dimethylphenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methyl-N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide?
The InChIKey is IKFPGHUENGCACD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H31N5O3.C25H29N5O3.C24H26ClN5O3.C24H27N5O3/c1-19-11-10-12-20(2)24(19)31(22-13-6-5-7-14-22)26-28-17-21(18-29-26)25(33)27-16-9-4-3-8-15-23(32)30-34;1-19-11-6-8-13-22(19)31(23-14-9-7-12-20(23)2)26-28-17-21(18-29-26)25(33)27-16-10-4-3-5-15-24(32)30-34;1-19-11-8-9-14-22(19)30(21-12-5-4-6-13-21)25-27-17-20(18-28-25)24(32)26-16-10-3-2-7-15-23(31)29-33;25-20-12-7-8-13-21(20)30(19-10-4-3-5-11-19)24-27-16-18(17-28-24)23(32)26-15-9-2-1-6-14-22(31)29-33;30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h5-7,10-14,17-18,34H,3-4,8-9,15-16H2,1-2H3,(H,27,33)(H,30,32);6-9,11-14,17-18,34H,3-5,10,15-16H2,1-2H3,(H,27,33)(H,30,32);4-6,8-9,11-14,17-18,33H,2-3,7,10,15-16H2,1H3,(H,26,32)(H,29,31);3-5,7-8,10-13,16-17,33H,1-2,6,9,14-15H2,(H,26,32)(H,29,31);3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30).
What are the key properties of 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2,6-dimethylphenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methyl-N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide?
2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2,6-dimethylphenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methyl-N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide has a molecular weight of 2272.14 g/mol, XLogP of 22.86, 55 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-chlorophenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;2-(N-(2,6-dimethylphenyl)anilino)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methyl-N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide;N-[7-(hydroxyamino)-7-oxoheptyl]-2-(N-phenylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 158723692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).