1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide

C17H16ClN3O2 — CID 126785640

IUPAC1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClN3O2/c18-14-5-3-11(4-6-14)12-8-13(10-20-9-12)17(23)21-7-1-2-15(21)16(19)22/h3-6,8-10,15H,1-2,7H2,(H2,19,22)
InChIKeyGSXQOPRCNRGPFX-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.49
Rot. Bonds3

About 1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide

1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 126785640) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
PubChem CID126785640
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)c1cncc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClN3O2/c18-14-5-3-11(4-6-14)12-8-13(10-20-9-12)17(23)21-7-1-2-15(21)16(19)22/h3-6,8-10,15H,1-2,7H2,(H2,19,22)
InChIKeyGSXQOPRCNRGPFX-UHFFFAOYSA-N
XLogP2.49
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide
CID 126793563
1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide
CID 142087798
[5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 42845797
[5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 10446398
(2S)-1-[4-(3,4,5-trifluorophenyl)benzoyl]pyrrolidine-2-carboxamide
CID 96510202
[5-(3,5-dichlorophenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 24885402
1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 63972948
1-(4-fluoro-3-sulfanylbenzoyl)pyrrolidine-2-carboxamide
CID 107021942
1-(5-aminopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 110488370
1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 43212216
1-(2-chloro-6-methylpyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 113378308
1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 120514994

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide (CID 126785640) is 1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)c1cncc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is GSXQOPRCNRGPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c18-14-5-3-11(4-6-14)12-8-13(10-20-9-12)17(23)21-7-1-2-15(21)16(19)22/h3-6,8-10,15H,1-2,7H2,(H2,19,22).
What are the key properties of 1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide?
1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 126785640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).