N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide

C9H12N2O2 — CID 39237258

IUPACN-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESC[C@H](O)CNC(=O)c1cccnc1
InChIInChI=1S/C9H12N2O2/c1-7(12)5-11-9(13)8-3-2-4-10-6-8/h2-4,6-7,12H,5H2,1H3,(H,11,13)/t7-/m0/s1
InChIKeyNBDWZSMXICVNGC-ZETCQYMHSA-N
MW180.21 g/mol
LogP0.19
Rot. Bonds3

About N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide

N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide (PubChem CID 39237258) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
PubChem CID39237258
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESC[C@H](O)CNC(=O)c1cccnc1
InChIInChI=1S/C9H12N2O2/c1-7(12)5-11-9(13)8-3-2-4-10-6-8/h2-4,6-7,12H,5H2,1H3,(H,11,13)/t7-/m0/s1
InChIKeyNBDWZSMXICVNGC-ZETCQYMHSA-N
XLogP0.19
TPSA62.22 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 ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
N-[3-(dimethylamino)-2-hydroxypropyl]pyridine-3-carboxamide
CID 110281404
N-(2-phenylpropyl)pyridine-3-carboxamide
CID 46446505
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide
CID 93157610
N-(propan-2-yloxymethyl)pyridine-3-carboxamide
CID 3794279
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 118210842
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 140896583
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride
CID 119526338
phenyl (2S,3R)-3-hydroxy-2-[(pyridine-3-carbonylamino)methyl]butanoate
CID 164711213
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide (CID 39237258) is N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide is C[C@H](O)CNC(=O)c1cccnc1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide?
The InChIKey is NBDWZSMXICVNGC-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(12)5-11-9(13)8-3-2-4-10-6-8/h2-4,6-7,12H,5H2,1H3,(H,11,13)/t7-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide?
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide is sourced from PubChem (CID 39237258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).