(4-nitrophenyl) N-(1-imidazo[1,2-a]pyridin-5-ylethyl)carbamate

C16H14N4O4 — CID 166049440

IUPAC(4-nitrophenyl) N-(1-imidazo[1,2-a]pyridin-5-ylethyl)carbamate
SMILESCC(NC(=O)Oc1ccc([N+](=O)[O-])cc1)c1cccc2nccn12
InChIInChI=1S/C16H14N4O4/c1-11(14-3-2-4-15-17-9-10-19(14)15)18-16(21)24-13-7-5-12(6-8-13)20(22)23/h2-11H,1H3,(H,18,21)
InChIKeyIOGXJWNSCJKZCV-UHFFFAOYSA-N
MW326.31 g/mol
LogP3.09
Rot. Bonds4

About (4-nitrophenyl) N-(1-imidazo[1,2-a]pyridin-5-ylethyl)carbamate

(4-nitrophenyl) N-(1-imidazo[1,2-a]pyridin-5-ylethyl)carbamate (PubChem CID 166049440) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is (4-nitrophenyl) N-(1-imidazo[1,2-a]pyridin-5-ylethyl)carbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-(1-imidazo[1,2-a]pyridin-5-ylethyl)carbamate
PubChem CID166049440
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name(4-nitrophenyl) N-(1-imidazo[1,2-a]pyridin-5-ylethyl)carbamate
SMILESCC(NC(=O)Oc1ccc([N+](=O)[O-])cc1)c1cccc2nccn12
InChIInChI=1S/C16H14N4O4/c1-11(14-3-2-4-15-17-9-10-19(14)15)18-16(21)24-13-7-5-12(6-8-13)20(22)23/h2-11H,1H3,(H,18,21)
InChIKeyIOGXJWNSCJKZCV-UHFFFAOYSA-N
XLogP3.09
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 53.09
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

(4-nitrophenyl) N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
CID 86718069
(4-nitrophenyl) N-[(1S)-1-(3-chlorophenyl)ethyl]carbamate
CID 86718082
(4-nitrophenyl) N-[1-(2,2-difluoro-1,3-benzodioxol-4-yl)ethyl]carbamate
CID 166049398
(4-nitrophenyl) N-pyridin-2-ylcarbamate
CID 10332773
acetic acid;(4-nitrophenyl) hydrogen carbonate
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(4-nitrophenyl) N-(1-sulfanylbutyl)carbamate
CID 57179008
(4-nitrophenyl) imidazo[1,2-b]pyridazine-3-carboxylate
CID 141383552
(4-nitrophenyl) N-pyridin-4-ylcarbamate
CID 10355188
(2S)-2-(4-nitrophenoxy)propanoic acid
CID 7922614
(4-nitrophenyl) N-(2-methyl-1-phenylpropan-2-yl)carbamate
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(4-nitrophenyl) 2-ethylimidazole-1-carboxylate
CID 139898833

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-(1-imidazo[1,2-a]pyridin-5-ylethyl)carbamate?
The IUPAC name of (4-nitrophenyl) N-(1-imidazo[1,2-a]pyridin-5-ylethyl)carbamate (CID 166049440) is (4-nitrophenyl) N-(1-imidazo[1,2-a]pyridin-5-ylethyl)carbamate.
What is the SMILES notation for (4-nitrophenyl) N-(1-imidazo[1,2-a]pyridin-5-ylethyl)carbamate?
The canonical SMILES for (4-nitrophenyl) N-(1-imidazo[1,2-a]pyridin-5-ylethyl)carbamate is CC(NC(=O)Oc1ccc([N+](=O)[O-])cc1)c1cccc2nccn12.
What is the InChIKey of (4-nitrophenyl) N-(1-imidazo[1,2-a]pyridin-5-ylethyl)carbamate?
The InChIKey is IOGXJWNSCJKZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-11(14-3-2-4-15-17-9-10-19(14)15)18-16(21)24-13-7-5-12(6-8-13)20(22)23/h2-11H,1H3,(H,18,21).
What are the key properties of (4-nitrophenyl) N-(1-imidazo[1,2-a]pyridin-5-ylethyl)carbamate?
(4-nitrophenyl) N-(1-imidazo[1,2-a]pyridin-5-ylethyl)carbamate has a molecular weight of 326.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-(1-imidazo[1,2-a]pyridin-5-ylethyl)carbamate is sourced from PubChem (CID 166049440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).