2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide

C14H14N4O2 — CID 13193381

IUPAC2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C14H14N4O2/c1-9-8-13(20)17-18-14(9)10-2-4-11(5-3-10)16-12(19)6-7-15/h2-5,9H,6,8H2,1H3,(H,16,19)(H,17,20)
InChIKeyREZGCWNZDXPVJE-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.40
Rot. Bonds3

About 2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide

2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide (PubChem CID 13193381) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
PubChem CID13193381
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
SMILESCC1CC(=O)NN=C1c1ccc(NC(=O)CC#N)cc1
InChIInChI=1S/C14H14N4O2/c1-9-8-13(20)17-18-14(9)10-2-4-11(5-3-10)16-12(19)6-7-15/h2-5,9H,6,8H2,1H3,(H,16,19)(H,17,20)
InChIKeyREZGCWNZDXPVJE-UHFFFAOYSA-N
XLogP1.40
TPSA94.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
CID 10562323
4-amino-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]butanamide
CID 19854552
3,3,3-trifluoro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 70599674
2-bromo-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
CID 22160509
N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]-2-pyridin-3-yloxyacetamide
CID 21249165
2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile
CID 3033825
phenyl 4-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-4-oxobutanoate
CID 45034728
cyclopropylmethyl N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]carbamate
CID 12805020
methyl 2-[4,5-dimethoxy-2-[2-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-2-oxoethyl]phenyl]acetate
CID 139842055
2,2-dichloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
CID 12807338
(1E)-2-amino-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-2-oxoethanimidoyl cyanide
CID 15045640
2-amino-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)anilino]-2-oxoethanimidoyl cyanide
CID 72743802

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide (CID 13193381) is 2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide is CC1CC(=O)NN=C1c1ccc(NC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
The InChIKey is REZGCWNZDXPVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-9-8-13(20)17-18-14(9)10-2-4-11(5-3-10)16-12(19)6-7-15/h2-5,9H,6,8H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide?
2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide has a molecular weight of 270.29 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 13193381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).