N-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide

C15H14N4O2 — CID 86859455

IUPACN-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCCN(CC#N)C(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C15H14N4O2/c1-2-18(11-10-16)15(21)13-8-9-14(20)19(17-13)12-6-4-3-5-7-12/h3-9H,2,11H2,1H3
InChIKeyFBCWUZYPKPQSRV-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.22
Rot. Bonds4

About N-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide

N-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 86859455) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID86859455
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide
SMILESCCN(CC#N)C(=O)c1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C15H14N4O2/c1-2-18(11-10-16)15(21)13-8-9-14(20)19(17-13)12-6-4-3-5-7-12/h3-9H,2,11H2,1H3
InChIKeyFBCWUZYPKPQSRV-UHFFFAOYSA-N
XLogP1.22
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 166181653
N-methyl-N-(2-methylpropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 134059029
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
N-methyl-N-[(2-methylphenyl)methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31899986
N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 119508020
N-[(4-bromophenyl)methyl]-N-methyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31883996
N-[3-(dimethylamino)propyl]-N-ethyl-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 100676394
3-[ethyl-[1-(2-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]propanoic acid
CID 120516708
N-methyl-6-oxo-1-phenyl-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 78852401
N-[(2R)-2-(ethylamino)propyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 120653747
N-(1-hydroxypropan-2-yl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 110887303
N-(furan-2-ylmethyl)-6-oxo-1-phenyl-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 31836968

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide (CID 86859455) is N-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide is CCN(CC#N)C(=O)c1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of N-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is FBCWUZYPKPQSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-2-18(11-10-16)15(21)13-8-9-14(20)19(17-13)12-6-4-3-5-7-12/h3-9H,2,11H2,1H3.
What are the key properties of N-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide?
N-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-ethyl-6-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 86859455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).