6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide

C9H12ClN3O2 — CID 146277774

IUPAC6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide
SMILESCC(O)CNc1cc(Cl)ncc1C(N)=O
InChIInChI=1S/C9H12ClN3O2/c1-5(14)3-12-7-2-8(10)13-4-6(7)9(11)15/h2,4-5,14H,3H2,1H3,(H2,11,15)(H,12,13)
InChIKeyIHKPIXYENCMVPH-UHFFFAOYSA-N
MW229.67 g/mol
LogP0.63
Rot. Bonds4

About 6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide

6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide (PubChem CID 146277774) has the molecular formula C9H12ClN3O2 and a molecular weight of 229.67 g/mol. Its IUPAC name is 6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide
PubChem CID146277774
Molecular FormulaC9H12ClN3O2
Molecular Weight229.67 g/mol
Exact Mass229.06
IUPAC Name6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide
SMILESCC(O)CNc1cc(Cl)ncc1C(N)=O
InChIInChI=1S/C9H12ClN3O2/c1-5(14)3-12-7-2-8(10)13-4-6(7)9(11)15/h2,4-5,14H,3H2,1H3,(H2,11,15)(H,12,13)
InChIKeyIHKPIXYENCMVPH-UHFFFAOYSA-N
XLogP0.63
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 50.63
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

6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide
CID 58440080
6-chloro-4-(1-phenylethylamino)pyridine-3-carboxamide
CID 76789381
6-chloro-4-[[3-methyl-5-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide
CID 58450631
6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide
CID 58440060
5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide
CID 130727934
1-[6-chloro-4-(propylamino)-3-pyridinyl]ethanone
CID 167425461
6-chloro-4-(propylamino)pyridine-3-carboxylic acid
CID 115028932
6-chloro-3-[(4-hydroxy-2-methylpentyl)amino]pyridazine-4-carboxamide
CID 133340707
4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane
CID 144625083
6-chloro-4-methoxypyridine-3-carboxamide
CID 56773831
6-chloro-4-[[2-(1λ3,2-iodazol-1-yl)phenyl]methylamino]pyridine-3-carboxamide
CID 89065817
6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide
CID 58440318

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide (CID 146277774) is 6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide is CC(O)CNc1cc(Cl)ncc1C(N)=O.
What is the InChIKey of 6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide?
The InChIKey is IHKPIXYENCMVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2/c1-5(14)3-12-7-2-8(10)13-4-6(7)9(11)15/h2,4-5,14H,3H2,1H3,(H2,11,15)(H,12,13).
What are the key properties of 6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide?
6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide has a molecular weight of 229.67 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 146277774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).