6-(azetidin-3-ylamino)pyridine-2-carboxamide

C9H12N4O — CID 66188207

IUPAC6-(azetidin-3-ylamino)pyridine-2-carboxamide
SMILESNC(=O)c1cccc(NC2CNC2)n1
InChIInChI=1S/C9H12N4O/c10-9(14)7-2-1-3-8(13-7)12-6-4-11-5-6/h1-3,6,11H,4-5H2,(H2,10,14)(H,12,13)
InChIKeyKXZGDXTVOAODGG-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.44
Rot. Bonds3

About 6-(azetidin-3-ylamino)pyridine-2-carboxamide

6-(azetidin-3-ylamino)pyridine-2-carboxamide (PubChem CID 66188207) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-(azetidin-3-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(azetidin-3-ylamino)pyridine-2-carboxamide
PubChem CID66188207
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name6-(azetidin-3-ylamino)pyridine-2-carboxamide
SMILESNC(=O)c1cccc(NC2CNC2)n1
InChIInChI=1S/C9H12N4O/c10-9(14)7-2-1-3-8(13-7)12-6-4-11-5-6/h1-3,6,11H,4-5H2,(H2,10,14)(H,12,13)
InChIKeyKXZGDXTVOAODGG-UHFFFAOYSA-N
XLogP-0.44
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-3-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-(azetidin-3-ylamino)pyridine-2-carboxamide (CID 66188207) is 6-(azetidin-3-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-(azetidin-3-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-(azetidin-3-ylamino)pyridine-2-carboxamide is NC(=O)c1cccc(NC2CNC2)n1.
What is the InChIKey of 6-(azetidin-3-ylamino)pyridine-2-carboxamide?
The InChIKey is KXZGDXTVOAODGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c10-9(14)7-2-1-3-8(13-7)12-6-4-11-5-6/h1-3,6,11H,4-5H2,(H2,10,14)(H,12,13).
What are the key properties of 6-(azetidin-3-ylamino)pyridine-2-carboxamide?
6-(azetidin-3-ylamino)pyridine-2-carboxamide has a molecular weight of 192.22 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-3-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 66188207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).