2-(2-hydroxypropylamino)pyridine-4-carboxamide

C9H13N3O2 — CID 130671464

IUPAC2-(2-hydroxypropylamino)pyridine-4-carboxamide
SMILESCC(O)CNc1cc(C(N)=O)ccn1
InChIInChI=1S/C9H13N3O2/c1-6(13)5-12-8-4-7(9(10)14)2-3-11-8/h2-4,6,13H,5H2,1H3,(H2,10,14)(H,11,12)
InChIKeyZCPNJMOZHPALQU-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.03
Rot. Bonds4

About 2-(2-hydroxypropylamino)pyridine-4-carboxamide

2-(2-hydroxypropylamino)pyridine-4-carboxamide (PubChem CID 130671464) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(2-hydroxypropylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxypropylamino)pyridine-4-carboxamide
PubChem CID130671464
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-(2-hydroxypropylamino)pyridine-4-carboxamide
SMILESCC(O)CNc1cc(C(N)=O)ccn1
InChIInChI=1S/C9H13N3O2/c1-6(13)5-12-8-4-7(9(10)14)2-3-11-8/h2-4,6,13H,5H2,1H3,(H2,10,14)(H,11,12)
InChIKeyZCPNJMOZHPALQU-UHFFFAOYSA-N
XLogP-0.03
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropylamino)pyridine-4-carboxamide?
The IUPAC name of 2-(2-hydroxypropylamino)pyridine-4-carboxamide (CID 130671464) is 2-(2-hydroxypropylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-hydroxypropylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-hydroxypropylamino)pyridine-4-carboxamide is CC(O)CNc1cc(C(N)=O)ccn1.
What is the InChIKey of 2-(2-hydroxypropylamino)pyridine-4-carboxamide?
The InChIKey is ZCPNJMOZHPALQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(13)5-12-8-4-7(9(10)14)2-3-11-8/h2-4,6,13H,5H2,1H3,(H2,10,14)(H,11,12).
What are the key properties of 2-(2-hydroxypropylamino)pyridine-4-carboxamide?
2-(2-hydroxypropylamino)pyridine-4-carboxamide has a molecular weight of 195.22 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropylamino)pyridine-4-carboxamide is sourced from PubChem (CID 130671464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).