2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[2,3-d]pyrimidin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-6-yl)acetamide

C42H44Cl4N12O4 — CID 87909162

IUPAC2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[2,3-d]pyrimidin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-6-yl)acetamide
SMILESCc1nc(N2CCCN(C)CC2)nc2ncc(NC(=O)COc3ccc(Cl)cc3Cl)cc12.Cc1nc(N2CCNCC2)nc2ncc(NC(=O)COc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C22H24Cl2N6O2.C20H20Cl2N6O2/c1-14-17-11-16(27-20(31)13-32-19-5-4-15(23)10-18(19)24)12-25-21(17)28-22(26-14)30-7-3-6-29(2)8-9-30;1-12-15-9-14(26-18(29)11-30-17-3-2-13(21)8-16(17)22)10-24-19(15)27-20(25-12)28-6-4-23-5-7-28/h4-5,10-12H,3,6-9,13H2,1-2H3,(H,27,31);2-3,8-10,23H,4-7,11H2,1H3,(H,26,29)
InChIKeyMATGYOYVHWOCEO-UHFFFAOYSA-N
MW922.71 g/mol
LogP6.87
Rot. Bonds10

About 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[2,3-d]pyrimidin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-6-yl)acetamide

2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[2,3-d]pyrimidin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-6-yl)acetamide (PubChem CID 87909162) has the molecular formula C42H44Cl4N12O4 and a molecular weight of 922.71 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[2,3-d]pyrimidin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[2,3-d]pyrimidin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-6-yl)acetamide
PubChem CID87909162
Molecular FormulaC42H44Cl4N12O4
Molecular Weight922.71 g/mol
Exact Mass920.24
IUPAC Name2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[2,3-d]pyrimidin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-6-yl)acetamide
SMILESCc1nc(N2CCCN(C)CC2)nc2ncc(NC(=O)COc3ccc(Cl)cc3Cl)cc12.Cc1nc(N2CCNCC2)nc2ncc(NC(=O)COc3ccc(Cl)cc3Cl)cc12
InChIInChI=1S/C22H24Cl2N6O2.C20H20Cl2N6O2/c1-14-17-11-16(27-20(31)13-32-19-5-4-15(23)10-18(19)24)12-25-21(17)28-22(26-14)30-7-3-6-29(2)8-9-30;1-12-15-9-14(26-18(29)11-30-17-3-2-13(21)8-16(17)22)10-24-19(15)27-20(25-12)28-6-4-23-5-7-28/h4-5,10-12H,3,6-9,13H2,1-2H3,(H,27,31);2-3,8-10,23H,4-7,11H2,1H3,(H,26,29)
InChIKeyMATGYOYVHWOCEO-UHFFFAOYSA-N
XLogP6.87
TPSA175.75 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500922.71
LogP ≤ 56.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[2,3-d]pyrimidin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-6-yl)acetamide with MolForge

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Related Compounds

N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 87952789
2,3-bis(2,4-dichlorophenoxy)-N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylquinazolin-6-yl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]butanediamide
CID 87952872
N-[2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-(2-piperazin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 87952876
2-(2,4-dichlorophenoxy)-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 170861562
2-(2,4-dichlorophenoxy)-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 122287476
2-(2,4-dichlorophenoxy)-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]acetamide
CID 58646209
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-6-yl]-2,3-bis[4-(trifluoromethyl)phenoxy]butanediamide
CID 87953044
2-(2,4-dichlorophenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 30544845
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
1-(5-chloro-2-methoxyphenyl)-3-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 122357104
N-[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-(2,4-dichlorophenoxy)acetamide
CID 4262166
2-(2,4-dichlorophenoxy)-N-[5-(propan-2-ylamino)-2-pyridinyl]acetamide
CID 113023590

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[2,3-d]pyrimidin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-6-yl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[2,3-d]pyrimidin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-6-yl)acetamide (CID 87909162) is 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[2,3-d]pyrimidin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[2,3-d]pyrimidin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[2,3-d]pyrimidin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-6-yl)acetamide is Cc1nc(N2CCCN(C)CC2)nc2ncc(NC(=O)COc3ccc(Cl)cc3Cl)cc12.Cc1nc(N2CCNCC2)nc2ncc(NC(=O)COc3ccc(Cl)cc3Cl)cc12.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[2,3-d]pyrimidin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-6-yl)acetamide?
The InChIKey is MATGYOYVHWOCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N6O2.C20H20Cl2N6O2/c1-14-17-11-16(27-20(31)13-32-19-5-4-15(23)10-18(19)24)12-25-21(17)28-22(26-14)30-7-3-6-29(2)8-9-30;1-12-15-9-14(26-18(29)11-30-17-3-2-13(21)8-16(17)22)10-24-19(15)27-20(25-12)28-6-4-23-5-7-28/h4-5,10-12H,3,6-9,13H2,1-2H3,(H,27,31);2-3,8-10,23H,4-7,11H2,1H3,(H,26,29).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[2,3-d]pyrimidin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-6-yl)acetamide?
2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[2,3-d]pyrimidin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-6-yl)acetamide has a molecular weight of 922.71 g/mol, XLogP of 6.87, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)pyrido[2,3-d]pyrimidin-6-yl]acetamide;2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylpyrido[2,3-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 87909162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).