2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide

C16H18N6O2 — CID 156732990

IUPAC2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
SMILESCN(C(=O)c1cnc(/C=N/NC(=O)C2CC2)n1C)c1cccnc1
InChIInChI=1S/C16H18N6O2/c1-21(12-4-3-7-17-8-12)16(24)13-9-18-14(22(13)2)10-19-20-15(23)11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H,20,23)/b19-10+
InChIKeyRCOCKRZICFTHOZ-VXLYETTFSA-N
MW326.36 g/mol
LogP0.95
Rot. Bonds5

About 2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide

2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide (PubChem CID 156732990) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
PubChem CID156732990
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
SMILESCN(C(=O)c1cnc(/C=N/NC(=O)C2CC2)n1C)c1cccnc1
InChIInChI=1S/C16H18N6O2/c1-21(12-4-3-7-17-8-12)16(24)13-9-18-14(22(13)2)10-19-20-15(23)11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H,20,23)/b19-10+
InChIKeyRCOCKRZICFTHOZ-VXLYETTFSA-N
XLogP0.95
TPSA92.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-hydroxyiminomethyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 138675099
2-[hydroxy(methoxy)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134260928
N,3-dimethyl-2-(oxan-4-ylsulfanyl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164274
N,3-dimethyl-2-morpholin-4-yl-N-pyridin-3-ylimidazole-4-carboxamide
CID 130302801
2-(4-cyanopiperidin-1-yl)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 137496518
2-butylsulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164271
3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide
CID 59607052
N,3-dimethyl-2-(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 134260897
N,3-dimethyl-2-(1-methyltriazol-4-yl)-N-pyridin-3-ylimidazole-4-carboxamide
CID 130332406
N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164300
2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 130330750
2-(3,5-dichlorophenyl)sulfanyl-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 134164319

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
The IUPAC name of 2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide (CID 156732990) is 2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide.
What is the SMILES notation for 2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
The canonical SMILES for 2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide is CN(C(=O)c1cnc(/C=N/NC(=O)C2CC2)n1C)c1cccnc1.
What is the InChIKey of 2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
The InChIKey is RCOCKRZICFTHOZ-VXLYETTFSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-21(12-4-3-7-17-8-12)16(24)13-9-18-14(22(13)2)10-19-20-15(23)11-5-6-11/h3-4,7-11H,5-6H2,1-2H3,(H,20,23)/b19-10+.
What are the key properties of 2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide?
2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(cyclopropanecarbonylhydrazinylidene)methyl]-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide is sourced from PubChem (CID 156732990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).