2-cyano-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]pyridine-4-carboxamide

C23H18N6O — CID 158059126

IUPAC2-cyano-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]pyridine-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(NC(=O)c4ccnc(C#N)c4)c(C)c3)ncc2n1
InChIInChI=1S/C23H18N6O/c1-13-9-16(22-26-12-20-21(29-22)14(2)8-15(3)27-20)4-5-19(13)28-23(30)17-6-7-25-18(10-17)11-24/h4-10,12H,1-3H3,(H,28,30)
InChIKeyFKKSULFCEZJEGD-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.14
Rot. Bonds3

About 2-cyano-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]pyridine-4-carboxamide

2-cyano-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]pyridine-4-carboxamide (PubChem CID 158059126) has the molecular formula C23H18N6O and a molecular weight of 394.44 g/mol. Its IUPAC name is 2-cyano-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]pyridine-4-carboxamide
PubChem CID158059126
Molecular FormulaC23H18N6O
Molecular Weight394.44 g/mol
Exact Mass394.15
IUPAC Name2-cyano-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]pyridine-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(NC(=O)c4ccnc(C#N)c4)c(C)c3)ncc2n1
InChIInChI=1S/C23H18N6O/c1-13-9-16(22-26-12-20-21(29-22)14(2)8-15(3)27-20)4-5-19(13)28-23(30)17-6-7-25-18(10-17)11-24/h4-10,12H,1-3H3,(H,28,30)
InChIKeyFKKSULFCEZJEGD-UHFFFAOYSA-N
XLogP4.14
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-cyano-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]pyridine-4-carboxamide with MolForge

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Related Compounds

4-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 158349958
2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide
CID 112523952
2-cyano-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 115115799
2-cyano-N-[3-(3-methylimidazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138586987
N-(5-bromo-2-fluorophenyl)-2-cyanopyridine-4-carboxamide
CID 115115806
2-cyano-N-propan-2-ylpyridine-4-carboxamide
CID 112520008
2-cyano-N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]pyridine-4-carboxamide
CID 138989696
N-(1H-benzimidazol-2-yl)-2-cyanopyridine-4-carboxamide
CID 112527987
2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
CID 175673334
2-cyano-N-[2-methoxy-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 112523297
2-N-(4-chloro-2-methylphenyl)-4-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092943
4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092935

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]pyridine-4-carboxamide (CID 158059126) is 2-cyano-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]pyridine-4-carboxamide is Cc1cc(C)c2nc(-c3ccc(NC(=O)c4ccnc(C#N)c4)c(C)c3)ncc2n1.
What is the InChIKey of 2-cyano-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]pyridine-4-carboxamide?
The InChIKey is FKKSULFCEZJEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O/c1-13-9-16(22-26-12-20-21(29-22)14(2)8-15(3)27-20)4-5-19(13)28-23(30)17-6-7-25-18(10-17)11-24/h4-10,12H,1-3H3,(H,28,30).
What are the key properties of 2-cyano-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]pyridine-4-carboxamide?
2-cyano-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]pyridine-4-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(6,8-dimethylpyrido[3,2-d]pyrimidin-2-yl)-2-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 158059126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).