N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide

C13H17N3O2 — CID 110347461

IUPACN-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccncc1)C(=O)N1CCCC1
InChIInChI=1S/C13H17N3O2/c1-10(13(18)16-8-2-3-9-16)15-12(17)11-4-6-14-7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyJBAJNXFFENYUGQ-JTQLQIEISA-N
MW247.30 g/mol
LogP0.82
Rot. Bonds3

About N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide

N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide (PubChem CID 110347461) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
PubChem CID110347461
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccncc1)C(=O)N1CCCC1
InChIInChI=1S/C13H17N3O2/c1-10(13(18)16-8-2-3-9-16)15-12(17)11-4-6-14-7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,15,17)/t10-/m0/s1
InChIKeyJBAJNXFFENYUGQ-JTQLQIEISA-N
XLogP0.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 115730315
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 113246489
3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 104938945
2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 115596719
5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 47468363
[1-[2-(pyridine-4-carbonylamino)propanoyl]pyrrolidin-2-yl]boronic acid
CID 78139880
3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226
1-[(2R)-2-(pyridine-4-carbonylamino)propanoyl]azaborolidine-2-carboxylic acid;hydrochloride
CID 154701296
4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 110347447
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-(trifluoromethylsulfonyl)benzamide
CID 52505990

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide (CID 110347461) is N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide is C[C@H](NC(=O)c1ccncc1)C(=O)N1CCCC1.
What is the InChIKey of N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide?
The InChIKey is JBAJNXFFENYUGQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10(13(18)16-8-2-3-9-16)15-12(17)11-4-6-14-7-5-11/h4-7,10H,2-3,8-9H2,1H3,(H,15,17)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide?
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 110347461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).