N'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide

C16H12N6O6 — CID 27699260

IUPACN'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
SMILESCc1nc2ccccn2c1C(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C16H12N6O6/c1-9-14(20-5-3-2-4-13(20)17-9)16(24)19-18-15(23)10-6-11(21(25)26)8-12(7-10)22(27)28/h2-8H,1H3,(H,18,23)(H,19,24)
InChIKeyAROZKJXLTHZXRV-UHFFFAOYSA-N
MW384.31 g/mol
LogP1.53
Rot. Bonds4

About N'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide

N'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide (PubChem CID 27699260) has the molecular formula C16H12N6O6 and a molecular weight of 384.31 g/mol. Its IUPAC name is N'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
PubChem CID27699260
Molecular FormulaC16H12N6O6
Molecular Weight384.31 g/mol
Exact Mass384.08
IUPAC NameN'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
SMILESCc1nc2ccccn2c1C(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C16H12N6O6/c1-9-14(20-5-3-2-4-13(20)17-9)16(24)19-18-15(23)10-6-11(21(25)26)8-12(7-10)22(27)28/h2-8H,1H3,(H,18,23)(H,19,24)
InChIKeyAROZKJXLTHZXRV-UHFFFAOYSA-N
XLogP1.53
TPSA161.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

2-methyl-N'-(9-oxofluorene-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide
CID 24619999
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
2-methyl-N'-(3-methylsulfanylpropanoyl)imidazo[1,2-a]pyridine-3-carbohydrazide
CID 24644397
1-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-(4-methylphenyl)thiourea
CID 10088570
2-methyl-N'-(thieno[3,2-b][1]benzothiole-2-carbonyl)imidazo[1,2-a]pyridine-3-carbohydrazide
CID 24502809
N'-(1-benzylpyrazole-4-carbonyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 24541606
3-methyl-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]imidazo[1,2-a]pyridine-2-carboxamide
CID 6162171
2-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]imidazo[1,2-a]pyridine-3-carbohydrazide
CID 24514111
2-methyl-N-[(E)-1-phenylethylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
CID 6112087
1-[(2S)-6-methylheptan-2-yl]-3-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]urea
CID 51659196
N-(2-hydroxy-5-nitrophenyl)-2-propylimidazo[1,2-a]pyridine-3-carboxamide
CID 110660013
2-(methylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 84777303

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
The IUPAC name of N'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide (CID 27699260) is N'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide.
What is the SMILES notation for N'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
The canonical SMILES for N'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide is Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1.
What is the InChIKey of N'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
The InChIKey is AROZKJXLTHZXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O6/c1-9-14(20-5-3-2-4-13(20)17-9)16(24)19-18-15(23)10-6-11(21(25)26)8-12(7-10)22(27)28/h2-8H,1H3,(H,18,23)(H,19,24).
What are the key properties of N'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide?
N'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide has a molecular weight of 384.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dinitrobenzoyl)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide is sourced from PubChem (CID 27699260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).