N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide

C12H17N3O — CID 104955318

IUPACN-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
SMILESO=C(NCC[C@@H]1CCCN1)c1ccccn1
InChIInChI=1S/C12H17N3O/c16-12(11-5-1-2-7-14-11)15-9-6-10-4-3-8-13-10/h1-2,5,7,10,13H,3-4,6,8-9H2,(H,15,16)/t10-/m0/s1
InChIKeyIGSZJJSCTSZRPV-JTQLQIEISA-N
MW219.29 g/mol
LogP0.95
Rot. Bonds4

About N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide

N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide (PubChem CID 104955318) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
PubChem CID104955318
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
SMILESO=C(NCC[C@@H]1CCCN1)c1ccccn1
InChIInChI=1S/C12H17N3O/c16-12(11-5-1-2-7-14-11)15-9-6-10-4-3-8-13-10/h1-2,5,7,10,13H,3-4,6,8-9H2,(H,15,16)/t10-/m0/s1
InChIKeyIGSZJJSCTSZRPV-JTQLQIEISA-N
XLogP0.95
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 104971777
N-(2-piperidin-4-ylethyl)pyridine-2-carboxamide
CID 21497163
5-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrazine-2-carboxamide
CID 104955274
2-bromo-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972061
2,6-difluoro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793746
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]naphthalene-2-carboxamide
CID 104971760
2-piperidin-2-yl-1-pyridin-2-ylethanone
CID 79539171
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide
CID 104955292
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-1-benzofuran-2-carboxamide
CID 104972010
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106610741
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104955194

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide (CID 104955318) is N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide is O=C(NCC[C@@H]1CCCN1)c1ccccn1.
What is the InChIKey of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide?
The InChIKey is IGSZJJSCTSZRPV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17N3O/c16-12(11-5-1-2-7-14-11)15-9-6-10-4-3-8-13-10/h1-2,5,7,10,13H,3-4,6,8-9H2,(H,15,16)/t10-/m0/s1.
What are the key properties of N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide?
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 219.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 104955318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).