2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide

C12H17N3O2 — CID 104972057

IUPAC2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCC[C@H]1CCCN1)c1ccc[nH]c1=O
InChIInChI=1S/C12H17N3O2/c16-11-10(4-2-7-14-11)12(17)15-8-5-9-3-1-6-13-9/h2,4,7,9,13H,1,3,5-6,8H2,(H,14,16)(H,15,17)/t9-/m1/s1
InChIKeyXXZPWDKYQYLTJC-SECBINFHSA-N
MW235.29 g/mol
LogP0.25
Rot. Bonds4

About 2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide

2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide (PubChem CID 104972057) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
PubChem CID104972057
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCC[C@H]1CCCN1)c1ccc[nH]c1=O
InChIInChI=1S/C12H17N3O2/c16-11-10(4-2-7-14-11)12(17)15-8-5-9-3-1-6-13-9/h2,4,7,9,13H,1,3,5-6,8H2,(H,14,16)(H,15,17)/t9-/m1/s1
InChIKeyXXZPWDKYQYLTJC-SECBINFHSA-N
XLogP0.25
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 141085833
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
2,4-dioxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrimidine-5-carboxamide
CID 104972179
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
3-chloro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 107098372
3-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793555
6-methyl-4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide
CID 104955353
2-(difluoromethoxy)-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971956
2,5-dimethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793749
2,4-dihydroxy-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793797
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-indole-6-carboxamide
CID 104971741

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide (CID 104972057) is 2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide is O=C(NCC[C@H]1CCCN1)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is XXZPWDKYQYLTJC-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-11-10(4-2-7-14-11)12(17)15-8-5-9-3-1-6-13-9/h2,4,7,9,13H,1,3,5-6,8H2,(H,14,16)(H,15,17)/t9-/m1/s1.
What are the key properties of 2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide?
2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 104972057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).