N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide

C16H19N3O2 — CID 18105453

IUPACN-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCc2ccc(C)cc2)ccc1=O
InChIInChI=1S/C16H19N3O2/c1-3-10-19-15(20)9-8-14(18-19)16(21)17-11-13-6-4-12(2)5-7-13/h4-9H,3,10-11H2,1-2H3,(H,17,21)
InChIKeyLKYOQWYBQSMHFO-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.89
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 18105453) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID18105453
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NCc2ccc(C)cc2)ccc1=O
InChIInChI=1S/C16H19N3O2/c1-3-10-19-15(20)9-8-14(18-19)16(21)17-11-13-6-4-12(2)5-7-13/h4-9H,3,10-11H2,1-2H3,(H,17,21)
InChIKeyLKYOQWYBQSMHFO-UHFFFAOYSA-N
XLogP1.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 32964794
6-oxo-1-propyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide
CID 30293285
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18117439
N-(2-hydroxy-2-methylpropyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 65109487
1-butyl-6-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyridazine-3-carboxamide
CID 34242671
(3S)-3-(4-methylphenyl)-3-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 95764713
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 18119515
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 46440883
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
2-hydroxy-4-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoic acid
CID 107831909
1-butyl-6-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridazine-3-carboxamide
CID 55381555
6-oxo-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-propylpyridazine-3-carboxamide
CID 46464028

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 18105453) is N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NCc2ccc(C)cc2)ccc1=O.
What is the InChIKey of N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is LKYOQWYBQSMHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-10-19-15(20)9-8-14(18-19)16(21)17-11-13-6-4-12(2)5-7-13/h4-9H,3,10-11H2,1-2H3,(H,17,21).
What are the key properties of N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 18105453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).