6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide

C13H16ClN3O2 — CID 62233313

IUPAC6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cccc(Cl)n1
InChIInChI=1S/C13H16ClN3O2/c14-11-5-1-4-10(16-11)13(19)15-7-3-9-17-8-2-6-12(17)18/h1,4-5H,2-3,6-9H2,(H,15,19)
InChIKeyVBZTZUHMCTUCIK-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.48
Rot. Bonds5

About 6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide

6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide (PubChem CID 62233313) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
PubChem CID62233313
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cccc(Cl)n1
InChIInChI=1S/C13H16ClN3O2/c14-11-5-1-4-10(16-11)13(19)15-7-3-9-17-8-2-6-12(17)18/h1,4-5H,2-3,6-9H2,(H,15,19)
InChIKeyVBZTZUHMCTUCIK-UHFFFAOYSA-N
XLogP1.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-morpholin-4-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 117088866
N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 117080691
6-chloro-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 55052305
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
6-amino-N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 91789503
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63048000
3-chloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 46537539
6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107317157
2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 30483231
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 176776996
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 110743641

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide (CID 62233313) is 6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide is O=C(NCCCN1CCCC1=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide?
The InChIKey is VBZTZUHMCTUCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-11-5-1-4-10(16-11)13(19)15-7-3-9-17-8-2-6-12(17)18/h1,4-5H,2-3,6-9H2,(H,15,19).
What are the key properties of 6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide?
6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 62233313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).