N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide

C23H26N6O3 — CID 95805899

IUPACN-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc([C@@H]2CCCN2C(=O)c2nccn2C)nc1C
InChIInChI=1S/C23H26N6O3/c1-15-17(22(30)26-13-16-7-4-5-9-19(16)32-3)14-25-20(27-15)18-8-6-11-29(18)23(31)21-24-10-12-28(21)2/h4-5,7,9-10,12,14,18H,6,8,11,13H2,1-3H3,(H,26,30)/t18-/m0/s1
InChIKeyGRYZFJRCECXMNF-SFHVURJKSA-N
MW434.50 g/mol
LogP2.43
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide

N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide (PubChem CID 95805899) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
PubChem CID95805899
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cnc([C@@H]2CCCN2C(=O)c2nccn2C)nc1C
InChIInChI=1S/C23H26N6O3/c1-15-17(22(30)26-13-16-7-4-5-9-19(16)32-3)14-25-20(27-15)18-8-6-11-29(18)23(31)21-24-10-12-28(21)2/h4-5,7,9-10,12,14,18H,6,8,11,13H2,1-3H3,(H,26,30)/t18-/m0/s1
InChIKeyGRYZFJRCECXMNF-SFHVURJKSA-N
XLogP2.43
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-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-[1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 175659966
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 110247517
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 110247512
N-[(4-fluorophenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247738
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2R)-pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 125004401
N-(4-fluorophenyl)-2-[(2S)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637215
2-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92640390
N-(2-methoxyphenyl)-4-methyl-2-[(3S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 92640136
N-(2-methoxyphenyl)-4-methyl-2-[1-(1-methylimidazole-2-carbonyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110250619
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpropyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 92640366
2-(1-benzoylpiperidin-2-yl)-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 110247749
N-(2-methoxyphenyl)-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 110247400

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide (CID 95805899) is N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide is COc1ccccc1CNC(=O)c1cnc([C@@H]2CCCN2C(=O)c2nccn2C)nc1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide?
The InChIKey is GRYZFJRCECXMNF-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-15-17(22(30)26-13-16-7-4-5-9-19(16)32-3)14-25-20(27-15)18-8-6-11-29(18)23(31)21-24-10-12-28(21)2/h4-5,7,9-10,12,14,18H,6,8,11,13H2,1-3H3,(H,26,30)/t18-/m0/s1.
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide?
N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(1-methylimidazole-2-carbonyl)pyrrolidin-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 95805899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).