3-(2-hydroxypropyl)pyridine-4-carboxamide

C9H12N2O2 — CID 174772458

IUPAC3-(2-hydroxypropyl)pyridine-4-carboxamide
SMILESCC(O)Cc1cnccc1C(N)=O
InChIInChI=1S/C9H12N2O2/c1-6(12)4-7-5-11-3-2-8(7)9(10)13/h2-3,5-6,12H,4H2,1H3,(H2,10,13)
InChIKeyNGYNHYIVCYVLJJ-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.10
Rot. Bonds3

About 3-(2-hydroxypropyl)pyridine-4-carboxamide

3-(2-hydroxypropyl)pyridine-4-carboxamide (PubChem CID 174772458) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxypropyl)pyridine-4-carboxamide
PubChem CID174772458
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3-(2-hydroxypropyl)pyridine-4-carboxamide
SMILESCC(O)Cc1cnccc1C(N)=O
InChIInChI=1S/C9H12N2O2/c1-6(12)4-7-5-11-3-2-8(7)9(10)13/h2-3,5-6,12H,4H2,1H3,(H2,10,13)
InChIKeyNGYNHYIVCYVLJJ-UHFFFAOYSA-N
XLogP0.10
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxypropyl)pyridine-4-carboxylic acid
CID 165349315
3-(2-methoxyethoxymethyl)pyridine-4-carboxamide
CID 142949470
1-(3-ethyl-4-pyridinyl)ethanone
CID 14863277
4-(aminomethyl)pyridine-3-carboxamide
CID 123566615
3-(methylaminosulfanyl)pyridine-4-carboxamide
CID 155744567
3-bromopyridine-4-carboxamide;hydrochloride
CID 169006653
3-ethyl-N-methylpyridine-4-carboxamide
CID 130718112
3-[1-(3-hydroxypropylamino)ethyl]pyridine-4-carboxamide;dihydrochloride
CID 142243658
3-[(2-methylquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 121470607
(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide
CID 131186254
methyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate
CID 139180597

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)pyridine-4-carboxamide?
The IUPAC name of 3-(2-hydroxypropyl)pyridine-4-carboxamide (CID 174772458) is 3-(2-hydroxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(2-hydroxypropyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(2-hydroxypropyl)pyridine-4-carboxamide is CC(O)Cc1cnccc1C(N)=O.
What is the InChIKey of 3-(2-hydroxypropyl)pyridine-4-carboxamide?
The InChIKey is NGYNHYIVCYVLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(12)4-7-5-11-3-2-8(7)9(10)13/h2-3,5-6,12H,4H2,1H3,(H2,10,13).
What are the key properties of 3-(2-hydroxypropyl)pyridine-4-carboxamide?
3-(2-hydroxypropyl)pyridine-4-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 174772458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).