2-(N-(2-chlorophenyl)anilino)-N-(7-oxoheptyl)pyrimidine-5-carboxamide

C24H25ClN4O2 — CID 144828646

IUPAC2-(N-(2-chlorophenyl)anilino)-N-(7-oxoheptyl)pyrimidine-5-carboxamide
SMILESO=CCCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1
InChIInChI=1S/C24H25ClN4O2/c25-21-13-7-8-14-22(21)29(20-11-5-4-6-12-20)24-27-17-19(18-28-24)23(31)26-15-9-2-1-3-10-16-30/h4-8,11-14,16-18H,1-3,9-10,15H2,(H,26,31)
InChIKeyHYOBHBJTOQBVJP-UHFFFAOYSA-N
MW436.94 g/mol
LogP5.48
Rot. Bonds11

About 2-(N-(2-chlorophenyl)anilino)-N-(7-oxoheptyl)pyrimidine-5-carboxamide

2-(N-(2-chlorophenyl)anilino)-N-(7-oxoheptyl)pyrimidine-5-carboxamide (PubChem CID 144828646) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 2-(N-(2-chlorophenyl)anilino)-N-(7-oxoheptyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(N-(2-chlorophenyl)anilino)-N-(7-oxoheptyl)pyrimidine-5-carboxamide
PubChem CID144828646
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name2-(N-(2-chlorophenyl)anilino)-N-(7-oxoheptyl)pyrimidine-5-carboxamide
SMILESO=CCCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1
InChIInChI=1S/C24H25ClN4O2/c25-21-13-7-8-14-22(21)29(20-11-5-4-6-12-20)24-27-17-19(18-28-24)23(31)26-15-9-2-1-3-10-16-30/h4-8,11-14,16-18H,1-3,9-10,15H2,(H,26,31)
InChIKeyHYOBHBJTOQBVJP-UHFFFAOYSA-N
XLogP5.48
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
2-(N-(2-chlorophenyl)anilino)-N'-hydroxypyrimidine-5-carbohydrazide
CID 163503763
ethane;methyl 7-[[2-(N-phenylanilino)pyrimidine-5-carbonyl]amino]heptanoate;molecular hydrogen
CID 144754938
N-[7-(hydroxyamino)-7-oxoheptyl]-2-(2-methyl-N-(2-methylphenyl)anilino)pyrimidine-5-carboxamide
CID 53340427
N-(9-oxononyl)pyridine-2-carboxamide
CID 130335282
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
2-[(2-chlorophenyl)methylamino]-N-pentylpyrimidine-5-carboxamide
CID 109257503
N-[2-(dimethylamino)ethyl]-2-(N-ethylanilino)pyrimidine-5-carboxamide
CID 109252763
N-octadec-9-enylbenzamide
CID 54554566
N-(4-oxobutyl)-4-pyridin-2-ylbenzamide
CID 86091874
N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide
CID 47781848

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-chlorophenyl)anilino)-N-(7-oxoheptyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(N-(2-chlorophenyl)anilino)-N-(7-oxoheptyl)pyrimidine-5-carboxamide (CID 144828646) is 2-(N-(2-chlorophenyl)anilino)-N-(7-oxoheptyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(N-(2-chlorophenyl)anilino)-N-(7-oxoheptyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(N-(2-chlorophenyl)anilino)-N-(7-oxoheptyl)pyrimidine-5-carboxamide is O=CCCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2Cl)nc1.
What is the InChIKey of 2-(N-(2-chlorophenyl)anilino)-N-(7-oxoheptyl)pyrimidine-5-carboxamide?
The InChIKey is HYOBHBJTOQBVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c25-21-13-7-8-14-22(21)29(20-11-5-4-6-12-20)24-27-17-19(18-28-24)23(31)26-15-9-2-1-3-10-16-30/h4-8,11-14,16-18H,1-3,9-10,15H2,(H,26,31).
What are the key properties of 2-(N-(2-chlorophenyl)anilino)-N-(7-oxoheptyl)pyrimidine-5-carboxamide?
2-(N-(2-chlorophenyl)anilino)-N-(7-oxoheptyl)pyrimidine-5-carboxamide has a molecular weight of 436.94 g/mol, XLogP of 5.48, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-chlorophenyl)anilino)-N-(7-oxoheptyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 144828646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).