(2S)-N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide

C14H18BrN3O2 — CID 164639564

IUPAC(2S)-N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide
SMILESO=C(Nc1c[nH]cc(Br)c1=O)[C@H](C1CC1)N1CCCC1
InChIInChI=1S/C14H18BrN3O2/c15-10-7-16-8-11(13(10)19)17-14(20)12(9-3-4-9)18-5-1-2-6-18/h7-9,12H,1-6H2,(H,16,19)(H,17,20)/t12-/m0/s1
InChIKeyNGYCSIFHXUDUGX-LBPRGKRZSA-N
MW340.22 g/mol
LogP1.95
Rot. Bonds4

About (2S)-N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide

(2S)-N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide (PubChem CID 164639564) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is (2S)-N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name(2S)-N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide
PubChem CID164639564
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name(2S)-N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide
SMILESO=C(Nc1c[nH]cc(Br)c1=O)[C@H](C1CC1)N1CCCC1
InChIInChI=1S/C14H18BrN3O2/c15-10-7-16-8-11(13(10)19)17-14(20)12(9-3-4-9)18-5-1-2-6-18/h7-9,12H,1-6H2,(H,16,19)(H,17,20)/t12-/m0/s1
InChIKeyNGYCSIFHXUDUGX-LBPRGKRZSA-N
XLogP1.95
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-N-[(2S)-2-(2-bromophenyl)-2-hydroxypropyl]-2-cyclopropyl-2-pyrrolidin-1-ylacetamide
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2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylacetamide
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2-cyclohexyl-2-pyrrolidin-1-ylacetic acid
CID 43803517
2-cyclopropyl-N-[(1-phenylimidazol-2-yl)methyl]-2-pyrrolidin-1-ylacetamide
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CID 93221214
2-cyclopentyl-N-(2,4-difluorophenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 46027660
(2S)-2-cyclopropyl-N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-pyrrolidin-1-ylacetamide
CID 97306222
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide?
The IUPAC name of (2S)-N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide (CID 164639564) is (2S)-N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for (2S)-N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for (2S)-N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide is O=C(Nc1c[nH]cc(Br)c1=O)[C@H](C1CC1)N1CCCC1.
What is the InChIKey of (2S)-N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide?
The InChIKey is NGYCSIFHXUDUGX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c15-10-7-16-8-11(13(10)19)17-14(20)12(9-3-4-9)18-5-1-2-6-18/h7-9,12H,1-6H2,(H,16,19)(H,17,20)/t12-/m0/s1.
What are the key properties of (2S)-N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide?
(2S)-N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 340.22 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-bromo-4-oxo-1H-pyridin-3-yl)-2-cyclopropyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 164639564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).