5-[2-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide

C23H28N6O — CID 92616860

IUPAC5-[2-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN3Cc3cn(C)nc3C)c2)cn1
InChIInChI=1S/C23H28N6O/c1-15-10-18(17-7-8-20(25-12-17)23(30)24-3)11-21(26-15)22-6-5-9-29(22)14-19-13-28(4)27-16(19)2/h7-8,10-13,22H,5-6,9,14H2,1-4H3,(H,24,30)/t22-/m0/s1
InChIKeySYMBLVZXJXJCIS-QFIPXVFZSA-N
MW404.52 g/mol
LogP3.19
Rot. Bonds5

About 5-[2-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide

5-[2-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide (PubChem CID 92616860) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 5-[2-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide
PubChem CID92616860
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name5-[2-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN3Cc3cn(C)nc3C)c2)cn1
InChIInChI=1S/C23H28N6O/c1-15-10-18(17-7-8-20(25-12-17)23(30)24-3)11-21(26-15)22-6-5-9-29(22)14-19-13-28(4)27-16(19)2/h7-8,10-13,22H,5-6,9,14H2,1-4H3,(H,24,30)/t22-/m0/s1
InChIKeySYMBLVZXJXJCIS-QFIPXVFZSA-N
XLogP3.19
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-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

5-[2-[(3R)-1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide
CID 95813915
5-[2-[1-(3-methoxypropanoyl)piperidin-3-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide
CID 110252459
5-[6-[(2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide
CID 92617030
3-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
CID 92732249
N-[4-[[(2S)-2-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 92616857
5-(4-chlorophenyl)-4-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,N-dimethylpyrimidin-2-amine
CID 110266137
4-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-5-(3-fluorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 92615311
N-methyl-5-[2-methyl-6-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide
CID 124951336
4-(4-fluorophenyl)-2-methyl-6-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
CID 95830176
2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine
CID 110270220
N-methyl-5-[6-(1-pyrazin-2-ylpyrrolidin-2-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 110268509
5-[6-[4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-3-pyridinyl]-N-methylpyridine-2-carboxamide
CID 127250654

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[2-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide (CID 92616860) is 5-[2-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN3Cc3cn(C)nc3C)c2)cn1.
What is the InChIKey of 5-[2-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide?
The InChIKey is SYMBLVZXJXJCIS-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H28N6O/c1-15-10-18(17-7-8-20(25-12-17)23(30)24-3)11-21(26-15)22-6-5-9-29(22)14-19-13-28(4)27-16(19)2/h7-8,10-13,22H,5-6,9,14H2,1-4H3,(H,24,30)/t22-/m0/s1.
What are the key properties of 5-[2-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide?
5-[2-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide has a molecular weight of 404.52 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 92616860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).