N-benzyl-2-(4-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carboxamide

C25H28N4O — CID 93138163

IUPACN-benzyl-2-(4-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)NCc3ccccc3)c(N3CCCC[C@@H]3C)n2)cc1
InChIInChI=1S/C25H28N4O/c1-18-11-13-21(14-12-18)23-26-17-22(24(28-23)29-15-7-6-8-19(29)2)25(30)27-16-20-9-4-3-5-10-20/h3-5,9-14,17,19H,6-8,15-16H2,1-2H3,(H,27,30)/t19-/m0/s1
InChIKeyPVBREVPYRHMJGL-IBGZPJMESA-N
MW400.53 g/mol
LogP4.76
Rot. Bonds5

About N-benzyl-2-(4-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carboxamide

N-benzyl-2-(4-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 93138163) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-benzyl-2-(4-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carboxamide
PubChem CID93138163
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-benzyl-2-(4-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)NCc3ccccc3)c(N3CCCC[C@@H]3C)n2)cc1
InChIInChI=1S/C25H28N4O/c1-18-11-13-21(14-12-18)23-26-17-22(24(28-23)29-15-7-6-8-19(29)2)25(30)27-16-20-9-4-3-5-10-20/h3-5,9-14,17,19H,6-8,15-16H2,1-2H3,(H,27,30)/t19-/m0/s1
InChIKeyPVBREVPYRHMJGL-IBGZPJMESA-N
XLogP4.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-(4-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 42670773
2-(4-methylphenyl)-4-(2-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 42670331
1-[4-[2-(3-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 97478193
2-(3-methylphenyl)-4-(4-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 42670785
2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
CID 42670318
N-(2-methoxyethyl)-2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 42670340
2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 110247749
ethyl 1-[2-(4-methoxyphenyl)-4-(2-methylpiperidin-1-yl)pyrimidine-5-carbonyl]piperidine-3-carboxylate
CID 42670416
6-methyl-2-(2-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62701810
4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 110852258
2-(4-methylphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669970
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 42673825

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-(4-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carboxamide (CID 93138163) is N-benzyl-2-(4-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-(4-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carboxamide is Cc1ccc(-c2ncc(C(=O)NCc3ccccc3)c(N3CCCC[C@@H]3C)n2)cc1.
What is the InChIKey of N-benzyl-2-(4-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is PVBREVPYRHMJGL-IBGZPJMESA-N. The full InChI is InChI=1S/C25H28N4O/c1-18-11-13-21(14-12-18)23-26-17-22(24(28-23)29-15-7-6-8-19(29)2)25(30)27-16-20-9-4-3-5-10-20/h3-5,9-14,17,19H,6-8,15-16H2,1-2H3,(H,27,30)/t19-/m0/s1.
What are the key properties of N-benzyl-2-(4-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carboxamide?
N-benzyl-2-(4-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methylphenyl)-4-[(2S)-2-methylpiperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 93138163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).