2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide

C10H12N4O2 — CID 107143766

IUPAC2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1NC1CNC(=O)C1
InChIInChI=1S/C10H12N4O2/c11-9(16)7-2-1-3-12-10(7)14-6-4-8(15)13-5-6/h1-3,6H,4-5H2,(H2,11,16)(H,12,14)(H,13,15)
InChIKeyKRMYVZQGHMVFLP-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.52
Rot. Bonds3

About 2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide

2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide (PubChem CID 107143766) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide
PubChem CID107143766
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1NC1CNC(=O)C1
InChIInChI=1S/C10H12N4O2/c11-9(16)7-2-1-3-12-10(7)14-6-4-8(15)13-5-6/h1-3,6H,4-5H2,(H2,11,16)(H,12,14)(H,13,15)
InChIKeyKRMYVZQGHMVFLP-UHFFFAOYSA-N
XLogP-0.52
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide (CID 107143766) is 2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide is NC(=O)c1cccnc1NC1CNC(=O)C1.
What is the InChIKey of 2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide?
The InChIKey is KRMYVZQGHMVFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-9(16)7-2-1-3-12-10(7)14-6-4-8(15)13-5-6/h1-3,6H,4-5H2,(H2,11,16)(H,12,14)(H,13,15).
What are the key properties of 2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide?
2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide has a molecular weight of 220.23 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxopyrrolidin-3-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 107143766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).