N-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

C20H19N5O2 — CID 109371046

IUPACN-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(NCc3cccnc3)nc(C)n2)c1
InChIInChI=1S/C20H19N5O2/c1-13(26)16-6-3-7-17(9-16)25-20(27)18-10-19(24-14(2)23-18)22-12-15-5-4-8-21-11-15/h3-11H,12H2,1-2H3,(H,25,27)(H,22,23,24)
InChIKeyPEOWDHLBTJSVLK-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.25
Rot. Bonds6

About N-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

N-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109371046) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109371046
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(NCc3cccnc3)nc(C)n2)c1
InChIInChI=1S/C20H19N5O2/c1-13(26)16-6-3-7-17(9-16)25-20(27)18-10-19(24-14(2)23-18)22-12-15-5-4-8-21-11-15/h3-11H,12H2,1-2H3,(H,25,27)(H,22,23,24)
InChIKeyPEOWDHLBTJSVLK-UHFFFAOYSA-N
XLogP3.25
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-tert-butylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371017
N-(2,6-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371069
N-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371042
2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371012
N-(3-acetylphenyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368581
N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371066
methyl 3-[[2-methyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109368796
N-(3-bromophenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329959
5-N-(3-acetylphenyl)-3-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106065
N-(3-methylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283399
1-(3-acetylphenyl)-3-(pyridin-3-ylmethyl)thiourea
CID 970859
azepan-1-yl-[2-methyl-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
CID 109370993

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (CID 109371046) is N-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(NCc3cccnc3)nc(C)n2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is PEOWDHLBTJSVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13(26)16-6-3-7-17(9-16)25-20(27)18-10-19(24-14(2)23-18)22-12-15-5-4-8-21-11-15/h3-11H,12H2,1-2H3,(H,25,27)(H,22,23,24).
What are the key properties of N-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
N-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109371046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).