2-[(3-hept-1-ynyl-6-nitroimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide

C16H19N5O4 — CID 141241082

IUPAC2-[(3-hept-1-ynyl-6-nitroimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide
SMILESCCCCCC#Cc1c(NCC(=O)NO)nc2ccc([N+](=O)[O-])cn12
InChIInChI=1S/C16H19N5O4/c1-2-3-4-5-6-7-13-16(17-10-15(22)19-23)18-14-9-8-12(21(24)25)11-20(13)14/h8-9,11,17,23H,2-5,10H2,1H3,(H,19,22)
InChIKeyXMROQBLREHDONO-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.09
Rot. Bonds7

About 2-[(3-hept-1-ynyl-6-nitroimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide

2-[(3-hept-1-ynyl-6-nitroimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide (PubChem CID 141241082) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[(3-hept-1-ynyl-6-nitroimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(3-hept-1-ynyl-6-nitroimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide
PubChem CID141241082
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC Name2-[(3-hept-1-ynyl-6-nitroimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide
SMILESCCCCCC#Cc1c(NCC(=O)NO)nc2ccc([N+](=O)[O-])cn12
InChIInChI=1S/C16H19N5O4/c1-2-3-4-5-6-7-13-16(17-10-15(22)19-23)18-14-9-8-12(21(24)25)11-20(13)14/h8-9,11,17,23H,2-5,10H2,1H3,(H,19,22)
InChIKeyXMROQBLREHDONO-UHFFFAOYSA-N
XLogP2.09
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-hept-1-ynyl-6-nitroimidazo[1,2-a]pyridin-3-amine
CID 141154142
2-[(3-hept-1-ynyl-5-propylimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide
CID 141240902
N-hydroxy-2-[(5-methyl-3-pentylimidazo[1,2-a]pyridin-2-yl)amino]acetamide
CID 141240900
2-[[8-chloro-2-hept-1-ynyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]amino]-N-hydroxyacetamide
CID 141239311
3-ethyl-2-methyl-7-nitropyrido[1,2-a]pyrimidin-4-one
CID 20568861
2-hex-1-ynyl-4-nitroaniline
CID 86100678
2-[[2-(6-nitroimidazo[1,2-a]pyridin-2-yl)acetyl]amino]hexanoic acid
CID 82032789
[2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
CID 67123064
N-tert-butyl-1-(2-hex-1-ynyl-5-nitrophenyl)methanimine
CID 56641734
4-nitro-N-octadecanoylbenzamide
CID 102032095
N-(4-butylphenyl)-2-(4-nitroanilino)acetamide
CID 9082113
6-(4-nitrophenyl)hex-5-yn-1-ol
CID 11218263

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hept-1-ynyl-6-nitroimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide?
The IUPAC name of 2-[(3-hept-1-ynyl-6-nitroimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide (CID 141241082) is 2-[(3-hept-1-ynyl-6-nitroimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(3-hept-1-ynyl-6-nitroimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[(3-hept-1-ynyl-6-nitroimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide is CCCCCC#Cc1c(NCC(=O)NO)nc2ccc([N+](=O)[O-])cn12.
What is the InChIKey of 2-[(3-hept-1-ynyl-6-nitroimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide?
The InChIKey is XMROQBLREHDONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c1-2-3-4-5-6-7-13-16(17-10-15(22)19-23)18-14-9-8-12(21(24)25)11-20(13)14/h8-9,11,17,23H,2-5,10H2,1H3,(H,19,22).
What are the key properties of 2-[(3-hept-1-ynyl-6-nitroimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide?
2-[(3-hept-1-ynyl-6-nitroimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide has a molecular weight of 345.36 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hept-1-ynyl-6-nitroimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide is sourced from PubChem (CID 141241082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).