(2S)-N-(6-acetamido-2-pyridinyl)pyrrolidine-2-carboxamide

C12H16N4O2 — CID 102178535

IUPAC(2S)-N-(6-acetamido-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2)n1
InChIInChI=1S/C12H16N4O2/c1-8(17)14-10-5-2-6-11(15-10)16-12(18)9-4-3-7-13-9/h2,5-6,9,13H,3-4,7H2,1H3,(H2,14,15,16,17,18)/t9-/m0/s1
InChIKeyWSKXJWKCRGDGTI-VIFPVBQESA-N
MW248.29 g/mol
LogP0.73
Rot. Bonds3

About (2S)-N-(6-acetamido-2-pyridinyl)pyrrolidine-2-carboxamide

(2S)-N-(6-acetamido-2-pyridinyl)pyrrolidine-2-carboxamide (PubChem CID 102178535) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is (2S)-N-(6-acetamido-2-pyridinyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(6-acetamido-2-pyridinyl)pyrrolidine-2-carboxamide
PubChem CID102178535
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name(2S)-N-(6-acetamido-2-pyridinyl)pyrrolidine-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2)n1
InChIInChI=1S/C12H16N4O2/c1-8(17)14-10-5-2-6-11(15-10)16-12(18)9-4-3-7-13-9/h2,5-6,9,13H,3-4,7H2,1H3,(H2,14,15,16,17,18)/t9-/m0/s1
InChIKeyWSKXJWKCRGDGTI-VIFPVBQESA-N
XLogP0.73
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 79946508
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2R)-N-pyridazin-3-ylpyrrolidine-2-carboxamide
CID 104901521
(2S)-N-pyridin-2-ylpiperidine-2-carboxamide
CID 103813189
N-(1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 62902343
N-pyridazin-3-ylazepane-2-carboxamide
CID 116786808
N-(5-propyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
CID 115976378
N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 43124050
N-(6-chloropyridazin-3-yl)pyrrolidine-2-carboxamide
CID 115626531
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
CID 79602150

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-acetamido-2-pyridinyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(6-acetamido-2-pyridinyl)pyrrolidine-2-carboxamide (CID 102178535) is (2S)-N-(6-acetamido-2-pyridinyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(6-acetamido-2-pyridinyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(6-acetamido-2-pyridinyl)pyrrolidine-2-carboxamide is CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCN2)n1.
What is the InChIKey of (2S)-N-(6-acetamido-2-pyridinyl)pyrrolidine-2-carboxamide?
The InChIKey is WSKXJWKCRGDGTI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8(17)14-10-5-2-6-11(15-10)16-12(18)9-4-3-7-13-9/h2,5-6,9,13H,3-4,7H2,1H3,(H2,14,15,16,17,18)/t9-/m0/s1.
What are the key properties of (2S)-N-(6-acetamido-2-pyridinyl)pyrrolidine-2-carboxamide?
(2S)-N-(6-acetamido-2-pyridinyl)pyrrolidine-2-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-acetamido-2-pyridinyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102178535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).