N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide

C13H19N3O — CID 93157610

IUPACN-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide
SMILESC[C@@H](CNC(=O)c1cccnc1)N1CCCC1
InChIInChI=1S/C13H19N3O/c1-11(16-7-2-3-8-16)9-15-13(17)12-5-4-6-14-10-12/h4-6,10-11H,2-3,7-9H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyWSEQROPRIXPTAS-NSHDSACASA-N
MW233.31 g/mol
LogP1.30
Rot. Bonds4

About N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide

N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide (PubChem CID 93157610) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide
PubChem CID93157610
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide
SMILESC[C@@H](CNC(=O)c1cccnc1)N1CCCC1
InChIInChI=1S/C13H19N3O/c1-11(16-7-2-3-8-16)9-15-13(17)12-5-4-6-14-10-12/h4-6,10-11H,2-3,7-9H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyWSEQROPRIXPTAS-NSHDSACASA-N
XLogP1.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide
CID 110620637
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 84506470
3-hydroxy-N-[(2R)-2-pyrrolidin-1-ylpropyl]pyridine-2-carboxamide
CID 95284101
N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 39554190
3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 51710424
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
2-chloro-N-(2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 61053126
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619
4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618
4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
6-methoxy-N-[(2S)-2-piperidin-1-ylpropyl]pyridine-3-carboxamide
CID 94633091

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide (CID 93157610) is N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide is C[C@@H](CNC(=O)c1cccnc1)N1CCCC1.
What is the InChIKey of N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide?
The InChIKey is WSEQROPRIXPTAS-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O/c1-11(16-7-2-3-8-16)9-15-13(17)12-5-4-6-14-10-12/h4-6,10-11H,2-3,7-9H2,1H3,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide?
N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-pyrrolidin-1-ylpropyl]pyridine-3-carboxamide is sourced from PubChem (CID 93157610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).