5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide

C17H18ClN3O2 — CID 94124833

IUPAC5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc([C@@H]2CCCN2c2ncc(C(N)=O)cc2Cl)cc1
InChIInChI=1S/C17H18ClN3O2/c1-23-13-6-4-11(5-7-13)15-3-2-8-21(15)17-14(18)9-12(10-20-17)16(19)22/h4-7,9-10,15H,2-3,8H2,1H3,(H2,19,22)/t15-/m0/s1
InChIKeyVQXSUQUDCUFCMV-HNNXBMFYSA-N
MW331.80 g/mol
LogP3.18
Rot. Bonds4

About 5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide

5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 94124833) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID94124833
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc([C@@H]2CCCN2c2ncc(C(N)=O)cc2Cl)cc1
InChIInChI=1S/C17H18ClN3O2/c1-23-13-6-4-11(5-7-13)15-3-2-8-21(15)17-14(18)9-12(10-20-17)16(19)22/h4-7,9-10,15H,2-3,8H2,1H3,(H2,19,22)/t15-/m0/s1
InChIKeyVQXSUQUDCUFCMV-HNNXBMFYSA-N
XLogP3.18
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-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-chloro-6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 56814395
5-chloro-6-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 128978334
5-chloro-6-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 138041096
5-chloro-6-[3-(3,5-dimethoxyanilino)piperidin-1-yl]pyridine-3-carboxamide
CID 133362411
5-chloro-6-(2,3-dimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 133357797
6-[(2S)-2-(4-methoxyphenyl)azepane-1-carbonyl]pyridine-3-carboxamide
CID 95042437
5-chloro-6-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133464880
6-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-5-chloropyridine-3-carboxamide
CID 100901224
methyl 5-chloro-2-[(2S)-2-phenylpyrrolidin-1-yl]pyridine-3-carboxylate
CID 129391696
4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133407661
4-chloro-2-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]benzamide
CID 86863283
5-chloro-6-[(3S)-3-propoxypiperidin-1-yl]pyridine-3-carboxamide
CID 95099262

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide (CID 94124833) is 5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide is COc1ccc([C@@H]2CCCN2c2ncc(C(N)=O)cc2Cl)cc1.
What is the InChIKey of 5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is VQXSUQUDCUFCMV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-23-13-6-4-11(5-7-13)15-3-2-8-21(15)17-14(18)9-12(10-20-17)16(19)22/h4-7,9-10,15H,2-3,8H2,1H3,(H2,19,22)/t15-/m0/s1.
What are the key properties of 5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 94124833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).