(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide

C12H15N3O2 — CID 51089557

IUPAC(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)Nc1cccnc1
InChIInChI=1S/C12H15N3O2/c1-9(16)15-7-3-5-11(15)12(17)14-10-4-2-6-13-8-10/h2,4,6,8,11H,3,5,7H2,1H3,(H,14,17)/t11-/m0/s1
InChIKeyAGRGDMONEBGYLY-NSHDSACASA-N
MW233.27 g/mol
LogP1.03
Rot. Bonds2

About (2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide

(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide (PubChem CID 51089557) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
PubChem CID51089557
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)Nc1cccnc1
InChIInChI=1S/C12H15N3O2/c1-9(16)15-7-3-5-11(15)12(17)14-10-4-2-6-13-8-10/h2,4,6,8,11H,3,5,7H2,1H3,(H,14,17)/t11-/m0/s1
InChIKeyAGRGDMONEBGYLY-NSHDSACASA-N
XLogP1.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-fluoro-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 140521967
1-[[(4-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 175120523
(2S)-1-(3,4-dichlorobenzoyl)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 51937768
1-acetyl-N-(3-pyrazin-2-yloxyphenyl)pyrrolidine-2-carboxamide
CID 86929912
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
1-[[(2-methoxybenzoyl)amino]carbamoyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 175120141
(2S)-1-acetyl-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]pyrrolidine-2-carboxamide
CID 51942540
(2S)-1-acetyl-N-(2-tert-butylpyrimidin-5-yl)pyrrolidine-2-carboxamide
CID 97314578
1-acetyl-N-[4-(triazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 71878974
(2S)-1-acetyl-N-[4-[5-[4-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]pyrrolidine-2-carboxamide
CID 53302967
1-[(4-fluorophenyl)methyl]-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 136512014

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide (CID 51089557) is (2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide is CC(=O)N1CCC[C@H]1C(=O)Nc1cccnc1.
What is the InChIKey of (2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The InChIKey is AGRGDMONEBGYLY-NSHDSACASA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(16)15-7-3-5-11(15)12(17)14-10-4-2-6-13-8-10/h2,4,6,8,11H,3,5,7H2,1H3,(H,14,17)/t11-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide?
(2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-pyridin-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 51089557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).