(3R)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C15H16F3N5O3 — CID 100626150

IUPAC(3R)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)[C@@H]1CCCN(c2nc3ccccn3c2[N+](=O)[O-])C1
InChIInChI=1S/C15H16F3N5O3/c16-15(17,18)9-19-13(24)10-4-3-6-21(8-10)12-14(23(25)26)22-7-2-1-5-11(22)20-12/h1-2,5,7,10H,3-4,6,8-9H2,(H,19,24)/t10-/m1/s1
InChIKeyFVVVGDQIPHGXSY-SNVBAGLBSA-N
MW371.32 g/mol
LogP2.14
Rot. Bonds4

About (3R)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3R)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 100626150) has the molecular formula C15H16F3N5O3 and a molecular weight of 371.32 g/mol. Its IUPAC name is (3R)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID100626150
Molecular FormulaC15H16F3N5O3
Molecular Weight371.32 g/mol
Exact Mass371.12
IUPAC Name(3R)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)[C@@H]1CCCN(c2nc3ccccn3c2[N+](=O)[O-])C1
InChIInChI=1S/C15H16F3N5O3/c16-15(17,18)9-19-13(24)10-4-3-6-21(8-10)12-14(23(25)26)22-7-2-1-5-11(22)20-12/h1-2,5,7,10H,3-4,6,8-9H2,(H,19,24)/t10-/m1/s1
InChIKeyFVVVGDQIPHGXSY-SNVBAGLBSA-N
XLogP2.14
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-2-pyridinyl)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxamide
CID 119032334
1-(4-nitrophenyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133331690
1-(3-fluoro-2-nitrophenyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326877
1-(3-methyl-5-nitro-2-pyridinyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326898
2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 35416947
1-(3-methylsulfonyl-2-nitrophenyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133414224
1-quinazolin-4-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326896
1-(6-nitroquinolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133331698
tert-butyl N-[1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidin-4-yl]carbamate
CID 60507246
1-([1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 134794435
1-(4-cyano-6-nitroquinolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133326947
1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 53203178

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 100626150) is (3R)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)[C@@H]1CCCN(c2nc3ccccn3c2[N+](=O)[O-])C1.
What is the InChIKey of (3R)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is FVVVGDQIPHGXSY-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16F3N5O3/c16-15(17,18)9-19-13(24)10-4-3-6-21(8-10)12-14(23(25)26)22-7-2-1-5-11(22)20-12/h1-2,5,7,10H,3-4,6,8-9H2,(H,19,24)/t10-/m1/s1.
What are the key properties of (3R)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3R)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 371.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 100626150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).