(2Z)-2-[(2-cyanoacetyl)hydrazinylidene]-N-phenylchromene-3-carboxamide

C19H14N4O3 — CID 17387306

IUPAC(2Z)-2-[(2-cyanoacetyl)hydrazinylidene]-N-phenylchromene-3-carboxamide
SMILESN#CCC(=O)N/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1
InChIInChI=1S/C19H14N4O3/c20-11-10-17(24)22-23-19-15(12-13-6-4-5-9-16(13)26-19)18(25)21-14-7-2-1-3-8-14/h1-9,12H,10H2,(H,21,25)(H,22,24)/b23-19-
InChIKeyIGCVCJLWFWBUJG-NMWGTECJSA-N
MW346.35 g/mol
LogP2.53
Rot. Bonds4

About (2Z)-2-[(2-cyanoacetyl)hydrazinylidene]-N-phenylchromene-3-carboxamide

(2Z)-2-[(2-cyanoacetyl)hydrazinylidene]-N-phenylchromene-3-carboxamide (PubChem CID 17387306) has the molecular formula C19H14N4O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is (2Z)-2-[(2-cyanoacetyl)hydrazinylidene]-N-phenylchromene-3-carboxamide.

Molecular Properties

Compound Name(2Z)-2-[(2-cyanoacetyl)hydrazinylidene]-N-phenylchromene-3-carboxamide
PubChem CID17387306
Molecular FormulaC19H14N4O3
Molecular Weight346.35 g/mol
Exact Mass346.11
IUPAC Name(2Z)-2-[(2-cyanoacetyl)hydrazinylidene]-N-phenylchromene-3-carboxamide
SMILESN#CCC(=O)N/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1
InChIInChI=1S/C19H14N4O3/c20-11-10-17(24)22-23-19-15(12-13-6-4-5-9-16(13)26-19)18(25)21-14-7-2-1-3-8-14/h1-9,12H,10H2,(H,21,25)(H,22,24)/b23-19-
InChIKeyIGCVCJLWFWBUJG-NMWGTECJSA-N
XLogP2.53
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide
CID 2141222
N-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 168521643
2-(3,5-difluorophenyl)imino-N-phenylchromene-3-carboxamide
CID 51367987
(2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 92666370
(2Z)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 46257237
(2Z)-2-(benzenesulfonylhydrazinylidene)-N-(4-methylphenyl)chromene-3-carboxamide
CID 6893580
2-hydroxyimino-N-(3-methylphenyl)chromene-3-carboxamide
CID 4313217
2-(5-chloro-2-methylphenyl)imino-N-phenylchromene-3-carboxamide
CID 53334867
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
N-(4-carbamoylphenyl)-2-oxochromene-3-carboxamide
CID 717683
[(3-acetylchromen-2-ylidene)amino]thiourea
CID 123442126
2-(4-carbamoylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368024

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-cyanoacetyl)hydrazinylidene]-N-phenylchromene-3-carboxamide?
The IUPAC name of (2Z)-2-[(2-cyanoacetyl)hydrazinylidene]-N-phenylchromene-3-carboxamide (CID 17387306) is (2Z)-2-[(2-cyanoacetyl)hydrazinylidene]-N-phenylchromene-3-carboxamide.
What is the SMILES notation for (2Z)-2-[(2-cyanoacetyl)hydrazinylidene]-N-phenylchromene-3-carboxamide?
The canonical SMILES for (2Z)-2-[(2-cyanoacetyl)hydrazinylidene]-N-phenylchromene-3-carboxamide is N#CCC(=O)N/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1.
What is the InChIKey of (2Z)-2-[(2-cyanoacetyl)hydrazinylidene]-N-phenylchromene-3-carboxamide?
The InChIKey is IGCVCJLWFWBUJG-NMWGTECJSA-N. The full InChI is InChI=1S/C19H14N4O3/c20-11-10-17(24)22-23-19-15(12-13-6-4-5-9-16(13)26-19)18(25)21-14-7-2-1-3-8-14/h1-9,12H,10H2,(H,21,25)(H,22,24)/b23-19-.
What are the key properties of (2Z)-2-[(2-cyanoacetyl)hydrazinylidene]-N-phenylchromene-3-carboxamide?
(2Z)-2-[(2-cyanoacetyl)hydrazinylidene]-N-phenylchromene-3-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-cyanoacetyl)hydrazinylidene]-N-phenylchromene-3-carboxamide is sourced from PubChem (CID 17387306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).