2-(3-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

C24H27N5O — CID 42670773

IUPAC2-(3-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1cccc(-c2ncc(C(=O)NCc3ccncc3)c(N3CCCCC3C)n2)c1
InChIInChI=1S/C24H27N5O/c1-17-6-5-8-20(14-17)22-26-16-21(23(28-22)29-13-4-3-7-18(29)2)24(30)27-15-19-9-11-25-12-10-19/h5-6,8-12,14,16,18H,3-4,7,13,15H2,1-2H3,(H,27,30)
InChIKeyRJFMRZIJUZLMGO-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.16
Rot. Bonds5

About 2-(3-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

2-(3-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 42670773) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
PubChem CID42670773
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name2-(3-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1cccc(-c2ncc(C(=O)NCc3ccncc3)c(N3CCCCC3C)n2)c1
InChIInChI=1S/C24H27N5O/c1-17-6-5-8-20(14-17)22-26-16-21(23(28-22)29-13-4-3-7-18(29)2)24(30)27-15-19-9-11-25-12-10-19/h5-6,8-12,14,16,18H,3-4,7,13,15H2,1-2H3,(H,27,30)
InChIKeyRJFMRZIJUZLMGO-UHFFFAOYSA-N
XLogP4.16
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenyl)-4-(4-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 42670785
N-benzyl-2-(4-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carboxamide
CID 93138163
2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 42670736
1-[4-[2-(3-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 97478193
2-(4-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 42670331
2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide
CID 42670750
4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 110852258
2-(3-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669959
N-[(4-chlorophenyl)methyl]-1-[2-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53077994
4-[cyclohexyl(methyl)amino]-2-(3-methylphenyl)-N-propylpyrimidine-5-carboxamide
CID 42670860
4-(4-benzylpiperidin-1-yl)-N-cyclohexyl-N-methyl-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670939
4-[cyclohexyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670864

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide (CID 42670773) is 2-(3-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is Cc1cccc(-c2ncc(C(=O)NCc3ccncc3)c(N3CCCCC3C)n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is RJFMRZIJUZLMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-17-6-5-8-20(14-17)22-26-16-21(23(28-22)29-13-4-3-7-18(29)2)24(30)27-15-19-9-11-25-12-10-19/h5-6,8-12,14,16,18H,3-4,7,13,15H2,1-2H3,(H,27,30).
What are the key properties of 2-(3-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide?
2-(3-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 42670773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).