N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide

C9H10N2O2 — CID 54216769

IUPACN-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESC[C@@H](C=O)NC(=O)c1cccnc1
InChIInChI=1S/C9H10N2O2/c1-7(6-12)11-9(13)8-3-2-4-10-5-8/h2-7H,1H3,(H,11,13)/t7-/m0/s1
InChIKeyNPCXIXSPCMNMAQ-ZETCQYMHSA-N
MW178.19 g/mol
LogP0.40
Rot. Bonds3

About N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide

N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide (PubChem CID 54216769) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
PubChem CID54216769
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC NameN-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESC[C@@H](C=O)NC(=O)c1cccnc1
InChIInChI=1S/C9H10N2O2/c1-7(6-12)11-9(13)8-3-2-4-10-5-8/h2-7H,1H3,(H,11,13)/t7-/m0/s1
InChIKeyNPCXIXSPCMNMAQ-ZETCQYMHSA-N
XLogP0.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-oxopropan-2-yl]benzamide
CID 59710359
(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
CID 843815
3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride
CID 52993255
N-[(2S)-1,5-dioxopentan-2-yl]pyridine-3-carboxamide
CID 89169267
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
N-methylpyridine-3-carboxamide chloride
CID 20976730
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide
CID 103751046
N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 61246175
methyl (2S)-2-(pyridine-3-carbonylcarbamothioylamino)propanoate
CID 131844422
N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide
CID 43297891
N-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide
CID 133220444

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide (CID 54216769) is N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide is C[C@@H](C=O)NC(=O)c1cccnc1.
What is the InChIKey of N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The InChIKey is NPCXIXSPCMNMAQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-7(6-12)11-9(13)8-3-2-4-10-5-8/h2-7H,1H3,(H,11,13)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide?
N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide has a molecular weight of 178.19 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 54216769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).