2-amino-6-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide

C10H11ClN4O2 — CID 113429248

IUPAC2-amino-6-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NC2CNC(=O)C2)cc(Cl)n1
InChIInChI=1S/C10H11ClN4O2/c11-7-1-5(2-8(12)15-7)10(17)14-6-3-9(16)13-4-6/h1-2,6H,3-4H2,(H2,12,15)(H,13,16)(H,14,17)
InChIKeyRXHTVWSCFHMCKO-UHFFFAOYSA-N
MW254.68 g/mol
LogP-0.06
Rot. Bonds2

About 2-amino-6-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide

2-amino-6-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide (PubChem CID 113429248) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 2-amino-6-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide
PubChem CID113429248
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name2-amino-6-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide
SMILESNc1cc(C(=O)NC2CNC(=O)C2)cc(Cl)n1
InChIInChI=1S/C10H11ClN4O2/c11-7-1-5(2-8(12)15-7)10(17)14-6-3-9(16)13-4-6/h1-2,6H,3-4H2,(H2,12,15)(H,13,16)(H,14,17)
InChIKeyRXHTVWSCFHMCKO-UHFFFAOYSA-N
XLogP-0.06
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-methyl-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 106197815
6-amino-5-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 113429241
2-amino-5-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 106197793
2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide
CID 55190561
2,6-dichloro-N-[2-(5-oxopyrrolidin-3-yl)ethyl]pyridine-4-carboxamide
CID 167810090
2-amino-6-chloro-N-(4-propylcyclohexyl)pyridine-4-carboxamide
CID 62161947
5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95984966
3-[(5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
CID 114156972
N-(5-oxopyrrolidin-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 112534753
2-amino-6-chloro-N-(2-propylcyclopropyl)pyridine-4-carboxamide
CID 113246075
2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 114157018
N-(5-oxopyrrolidin-3-yl)-4-sulfanylbenzamide
CID 106198052

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide (CID 113429248) is 2-amino-6-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide is Nc1cc(C(=O)NC2CNC(=O)C2)cc(Cl)n1.
What is the InChIKey of 2-amino-6-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide?
The InChIKey is RXHTVWSCFHMCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c11-7-1-5(2-8(12)15-7)10(17)14-6-3-9(16)13-4-6/h1-2,6H,3-4H2,(H2,12,15)(H,13,16)(H,14,17).
What are the key properties of 2-amino-6-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide?
2-amino-6-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide has a molecular weight of 254.68 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 113429248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).