N-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide

C21H22N4O — CID 95974684

IUPACN-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide
SMILESCC(C)[C@H](CNC(=O)c1ccccc1-c1cncnc1)c1cccnc1
InChIInChI=1S/C21H22N4O/c1-15(2)20(16-6-5-9-22-10-16)13-25-21(26)19-8-4-3-7-18(19)17-11-23-14-24-12-17/h3-12,14-15,20H,13H2,1-2H3,(H,25,26)/t20-/m0/s1
InChIKeyFEHUEMXINNUHLB-FQEVSTJZSA-N
MW346.43 g/mol
LogP3.71
Rot. Bonds6

About N-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide

N-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide (PubChem CID 95974684) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide
PubChem CID95974684
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide
SMILESCC(C)[C@H](CNC(=O)c1ccccc1-c1cncnc1)c1cccnc1
InChIInChI=1S/C21H22N4O/c1-15(2)20(16-6-5-9-22-10-16)13-25-21(26)19-8-4-3-7-18(19)17-11-23-14-24-12-17/h3-12,14-15,20H,13H2,1-2H3,(H,25,26)/t20-/m0/s1
InChIKeyFEHUEMXINNUHLB-FQEVSTJZSA-N
XLogP3.71
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide 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

1,2-dimethyl-3-(3-methyl-2-pyridin-3-ylbutyl)guanidine
CID 111911260
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
6-bromo-N-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 164640624
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
N-[2-(dimethylamino)-2-phenylethyl]-2-phenylbenzamide
CID 17461099
N-(3-methyl-2-pyridin-3-ylbutyl)-3-[2-(trifluoromethyl)phenyl]butanamide
CID 71860186
1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
CID 86981269
bis(2-pyridin-3-ylphenyl)methanone
CID 70483268
N-[(2S)-2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-2-methylbenzamide
CID 9153385
5-[(3-methyl-2-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685110
1-[1-(2-hydroxyethyl)cyclobutyl]-3-[(2R)-3-methyl-2-pyridin-3-ylbutyl]urea
CID 97227732

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide?
The IUPAC name of N-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide (CID 95974684) is N-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide.
What is the SMILES notation for N-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide?
The canonical SMILES for N-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide is CC(C)[C@H](CNC(=O)c1ccccc1-c1cncnc1)c1cccnc1.
What is the InChIKey of N-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide?
The InChIKey is FEHUEMXINNUHLB-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15(2)20(16-6-5-9-22-10-16)13-25-21(26)19-8-4-3-7-18(19)17-11-23-14-24-12-17/h3-12,14-15,20H,13H2,1-2H3,(H,25,26)/t20-/m0/s1.
What are the key properties of N-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide?
N-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide has a molecular weight of 346.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-2-pyridin-3-ylbutyl]-2-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 95974684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).