4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide

C15H16ClN5O — CID 154794198

IUPAC4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC2CCN(c3ncccc3Cl)C2)ccn1
InChIInChI=1S/C15H16ClN5O/c16-12-2-1-5-19-15(12)21-7-4-11(9-21)20-10-3-6-18-13(8-10)14(17)22/h1-3,5-6,8,11H,4,7,9H2,(H2,17,22)(H,18,20)
InChIKeyGOVXFHWVELISSV-UHFFFAOYSA-N
MW317.78 g/mol
LogP1.92
Rot. Bonds4

About 4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide

4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide (PubChem CID 154794198) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide
PubChem CID154794198
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC2CCN(c3ncccc3Cl)C2)ccn1
InChIInChI=1S/C15H16ClN5O/c16-12-2-1-5-19-15(12)21-7-4-11(9-21)20-10-3-6-18-13(8-10)14(17)22/h1-3,5-6,8,11H,4,7,9H2,(H2,17,22)(H,18,20)
InChIKeyGOVXFHWVELISSV-UHFFFAOYSA-N
XLogP1.92
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-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

4-[(1-methylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 43517657
[2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol
CID 154741640
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
4-[(1-cyclopentylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 154797079
4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-2-carboxamide
CID 133314091
3-[[1-(3-chloro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylbenzoic acid
CID 134493185
N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]thiomorpholine-4-carboxamide
CID 124594638
(2S)-2-amino-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-4-methylpentanamide
CID 119895623
4-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carboxylic acid
CID 61465381
3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine
CID 133494519
3-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 75379285
methyl 2-chloro-4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-5-nitrobenzoate
CID 133369032

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide (CID 154794198) is 4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide is NC(=O)c1cc(NC2CCN(c3ncccc3Cl)C2)ccn1.
What is the InChIKey of 4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide?
The InChIKey is GOVXFHWVELISSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c16-12-2-1-5-19-15(12)21-7-4-11(9-21)20-10-3-6-18-13(8-10)14(17)22/h1-3,5-6,8,11H,4,7,9H2,(H2,17,22)(H,18,20).
What are the key properties of 4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide?
4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 154794198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).