N-[(3-cyanophenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C15H16N4O2 — CID 53498773

IUPACN-[(3-cyanophenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C15H16N4O2/c1-18(10-12-5-3-4-11(8-12)9-16)15(21)13-6-7-14(20)19(2)17-13/h3-5,8H,6-7,10H2,1-2H3
InChIKeyQNGMCXFBKMIHOD-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.12
Rot. Bonds3

About N-[(3-cyanophenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[(3-cyanophenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 53498773) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID53498773
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[(3-cyanophenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)C1=NN(C)C(=O)CC1
InChIInChI=1S/C15H16N4O2/c1-18(10-12-5-3-4-11(8-12)9-16)15(21)13-6-7-14(20)19(2)17-13/h3-5,8H,6-7,10H2,1-2H3
InChIKeyQNGMCXFBKMIHOD-UHFFFAOYSA-N
XLogP1.12
TPSA76.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51262026
1-benzyl-N-[(4-cyanophenyl)methyl]-N-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55737990
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
N,1-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 38304018
1-[(3-cyanophenyl)methyl]-1,3,3-trimethylurea
CID 112726627
N-[(3-cyanophenyl)methyl]-N-methylthiophene-2-carboxamide
CID 47161979
N,1-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 31660346
6-chloro-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62233483
3-tert-butyl-N-[(3-cyanophenyl)methyl]-N,1-dimethylpyrazole-5-carboxamide
CID 87015986
N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide
CID 62968287
N-[(3-cyanophenyl)methyl]-N-methyl-3-sulfanylbenzamide
CID 107028981
N-[(3-cyanophenyl)methyl]-N-methylazepane-1-carboxamide
CID 79152015

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 53498773) is N-[(3-cyanophenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN(Cc1cccc(C#N)c1)C(=O)C1=NN(C)C(=O)CC1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is QNGMCXFBKMIHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-18(10-12-5-3-4-11(8-12)9-16)15(21)13-6-7-14(20)19(2)17-13/h3-5,8H,6-7,10H2,1-2H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[(3-cyanophenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 53498773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).