N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide

C13H18N2O2 — CID 18396525

IUPACN-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide
SMILESCC(C)[C@@H](C=O)NC(=O)CCc1cccnc1
InChIInChI=1S/C13H18N2O2/c1-10(2)12(9-16)15-13(17)6-5-11-4-3-7-14-8-11/h3-4,7-10,12H,5-6H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyYAVIVZREWAZXFK-GFCCVEGCSA-N
MW234.30 g/mol
LogP1.35
Rot. Bonds6

About N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide

N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide (PubChem CID 18396525) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide
PubChem CID18396525
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide
SMILESCC(C)[C@@H](C=O)NC(=O)CCc1cccnc1
InChIInChI=1S/C13H18N2O2/c1-10(2)12(9-16)15-13(17)6-5-11-4-3-7-14-8-11/h3-4,7-10,12H,5-6H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyYAVIVZREWAZXFK-GFCCVEGCSA-N
XLogP1.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.35
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

ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate
CID 61344596
N-(1-amino-4-methylpentan-2-yl)-3-pyridin-3-ylpropanamide
CID 81486896
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-pyridin-3-ylpropanamide
CID 169260123
N-(2-methylprop-1-enyl)-3-pyridin-3-ylpropanamide
CID 177435209
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
N-(1-imidazol-1-ylpropan-2-yl)-3-pyridin-3-ylpropanamide
CID 55683150
N-[1-(3-methylphenoxy)propan-2-yl]-3-pyridin-3-ylpropanamide
CID 86828425
6-methyl-1-pyridin-3-ylheptane-3,5-dione
CID 159181392
N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide
CID 115612776
(2R)-N,N-dimethyl-3-phenyl-2-(3-pyridin-3-ylpropanoylamino)propanamide
CID 95617732
4-methylsulfanyl-2-(3-pyridin-3-ylpropanoylamino)butanoic acid
CID 43353459
N-ethoxy-3-pyridin-3-ylpropanamide
CID 60717875

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide (CID 18396525) is N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide is CC(C)[C@@H](C=O)NC(=O)CCc1cccnc1.
What is the InChIKey of N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide?
The InChIKey is YAVIVZREWAZXFK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(2)12(9-16)15-13(17)6-5-11-4-3-7-14-8-11/h3-4,7-10,12H,5-6H2,1-2H3,(H,15,17)/t12-/m1/s1.
What are the key properties of N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide?
N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 234.30 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 18396525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).