N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide

C18H21N3O — CID 84573584

IUPACN-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(N3CCCC3)n2)c1
InChIInChI=1S/C18H21N3O/c1-13-10-14(2)12-15(11-13)19-18(22)16-6-5-7-17(20-16)21-8-3-4-9-21/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,19,22)
InChIKeyPSQFKBATXLDYLO-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.55
Rot. Bonds3

About N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide

N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 84573584) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID84573584
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(N3CCCC3)n2)c1
InChIInChI=1S/C18H21N3O/c1-13-10-14(2)12-15(11-13)19-18(22)16-6-5-7-17(20-16)21-8-3-4-9-21/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,19,22)
InChIKeyPSQFKBATXLDYLO-UHFFFAOYSA-N
XLogP3.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-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

N-(3,4-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573565
N-(3-chloro-4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide
CID 84573514
N-(4-methylphenyl)-6-morpholin-4-ylpyridine-2-carboxamide
CID 84573865
N-(3,5-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109310548
N-ethyl-6-piperidin-1-ylpyridine-2-carboxamide
CID 84575172
N-(2-ethylphenyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 84573709
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
N-(3-acetylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574044
N-(3,5-dimethylphenyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095481
6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 84573739
6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 38697211
N-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 155945840

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide (CID 84573584) is N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide is Cc1cc(C)cc(NC(=O)c2cccc(N3CCCC3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is PSQFKBATXLDYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-10-14(2)12-15(11-13)19-18(22)16-6-5-7-17(20-16)21-8-3-4-9-21/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,19,22).
What are the key properties of N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide?
N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 84573584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).