N-(2,3-dihydroxypropyl)pyridine-4-carboxamide

C9H12N2O3 — CID 66176252

IUPACN-(2,3-dihydroxypropyl)pyridine-4-carboxamide
SMILESO=C(NCC(O)CO)c1ccncc1
InChIInChI=1S/C9H12N2O3/c12-6-8(13)5-11-9(14)7-1-3-10-4-2-7/h1-4,8,12-13H,5-6H2,(H,11,14)
InChIKeyJNBDOMMBGMJJAJ-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.84
Rot. Bonds4

About N-(2,3-dihydroxypropyl)pyridine-4-carboxamide

N-(2,3-dihydroxypropyl)pyridine-4-carboxamide (PubChem CID 66176252) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)pyridine-4-carboxamide
PubChem CID66176252
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN-(2,3-dihydroxypropyl)pyridine-4-carboxamide
SMILESO=C(NCC(O)CO)c1ccncc1
InChIInChI=1S/C9H12N2O3/c12-6-8(13)5-11-9(14)7-1-3-10-4-2-7/h1-4,8,12-13H,5-6H2,(H,11,14)
InChIKeyJNBDOMMBGMJJAJ-UHFFFAOYSA-N
XLogP-0.84
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65031932
N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 103770299
4-chloro-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide
CID 81233183
methyl 2-hydroxy-3-(pyridine-4-carbonylamino)propanoate
CID 103879367
N-(3-chloro-2-methylpropyl)pyridine-4-carboxamide
CID 114302740
4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide
CID 66175163
N-(2,3-dihydroxypropyl)-4-ethoxybenzamide
CID 66176423
5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide
CID 153358046
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725997
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 38525076
N-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]pyridine-4-carboxamide
CID 51725998
N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide
CID 66176013

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)pyridine-4-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)pyridine-4-carboxamide (CID 66176252) is N-(2,3-dihydroxypropyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)pyridine-4-carboxamide is O=C(NCC(O)CO)c1ccncc1.
What is the InChIKey of N-(2,3-dihydroxypropyl)pyridine-4-carboxamide?
The InChIKey is JNBDOMMBGMJJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-6-8(13)5-11-9(14)7-1-3-10-4-2-7/h1-4,8,12-13H,5-6H2,(H,11,14).
What are the key properties of N-(2,3-dihydroxypropyl)pyridine-4-carboxamide?
N-(2,3-dihydroxypropyl)pyridine-4-carboxamide has a molecular weight of 196.21 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)pyridine-4-carboxamide is sourced from PubChem (CID 66176252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).