N-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-pyrimidine-5-carboxamide

C21H22N4O3 — CID 97115377

IUPACN-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-pyrimidine-5-carboxamide
SMILESCC[C@H](c1cccnc1)N(C)C(=O)c1cnc(COc2ccccc2)[nH]c1=O
InChIInChI=1S/C21H22N4O3/c1-3-18(15-8-7-11-22-12-15)25(2)21(27)17-13-23-19(24-20(17)26)14-28-16-9-5-4-6-10-16/h4-13,18H,3,14H2,1-2H3,(H,23,24,26)/t18-/m1/s1
InChIKeyONGNHDFPIVWVMD-GOSISDBHSA-N
MW378.43 g/mol
LogP2.97
Rot. Bonds7

About N-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-pyrimidine-5-carboxamide

N-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-pyrimidine-5-carboxamide (PubChem CID 97115377) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-pyrimidine-5-carboxamide
PubChem CID97115377
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-pyrimidine-5-carboxamide
SMILESCC[C@H](c1cccnc1)N(C)C(=O)c1cnc(COc2ccccc2)[nH]c1=O
InChIInChI=1S/C21H22N4O3/c1-3-18(15-8-7-11-22-12-15)25(2)21(27)17-13-23-19(24-20(17)26)14-28-16-9-5-4-6-10-16/h4-13,18H,3,14H2,1-2H3,(H,23,24,26)/t18-/m1/s1
InChIKeyONGNHDFPIVWVMD-GOSISDBHSA-N
XLogP2.97
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-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

N-methyl-1-oxo-N-(1-pyridin-3-ylpropyl)-2H-isoquinoline-4-carboxamide
CID 74230073
N-methyl-2-(methylamino)-N-(1-pyridin-3-ylpropyl)pyridine-3-carboxamide
CID 74248524
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-N-methyl-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 97133707
N-methyl-6-oxo-2-(phenoxymethyl)-N-(thian-4-yl)-1H-pyrimidine-5-carboxamide
CID 72888589
N,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide
CID 77084067
6-oxo-2-(phenoxymethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyrimidine-5-carboxamide
CID 72841018
5-hydroxy-2-(phenoxymethyl)-1H-pyrimidin-6-one
CID 71185914
2-[(4-fluorophenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 82168297
2-[(4-tert-butylphenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 82168285
N,3,5,7-tetramethyl-N-[(1S)-1-pyridin-3-ylpropyl]-1H-indole-2-carboxamide
CID 97113366
5-[(3R,4R)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-2-(phenoxymethyl)-1H-pyrimidin-6-one
CID 133112085
1-amino-N-methyl-N-(1-pyridin-3-ylpropyl)cyclopentane-1-carboxamide;dihydrochloride
CID 154912060

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-pyrimidine-5-carboxamide (CID 97115377) is N-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-pyrimidine-5-carboxamide is CC[C@H](c1cccnc1)N(C)C(=O)c1cnc(COc2ccccc2)[nH]c1=O.
What is the InChIKey of N-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is ONGNHDFPIVWVMD-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-18(15-8-7-11-22-12-15)25(2)21(27)17-13-23-19(24-20(17)26)14-28-16-9-5-4-6-10-16/h4-13,18H,3,14H2,1-2H3,(H,23,24,26)/t18-/m1/s1.
What are the key properties of N-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-pyrimidine-5-carboxamide?
N-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-2-(phenoxymethyl)-N-[(1R)-1-pyridin-3-ylpropyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97115377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).