N-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide

C18H16N4O2 — CID 59017950

IUPACN-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1cc(-c2ccncc2)n[nH]c1=O
InChIInChI=1S/C18H16N4O2/c1-12-4-2-3-5-14(12)11-20-17(23)15-10-16(21-22-18(15)24)13-6-8-19-9-7-13/h2-10H,11H2,1H3,(H,20,23)(H,22,24)
InChIKeyVVRYBYMKULYBBV-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.07
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide

N-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide (PubChem CID 59017950) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
PubChem CID59017950
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1cc(-c2ccncc2)n[nH]c1=O
InChIInChI=1S/C18H16N4O2/c1-12-4-2-3-5-14(12)11-20-17(23)15-10-16(21-22-18(15)24)13-6-8-19-9-7-13/h2-10H,11H2,1H3,(H,20,23)(H,22,24)
InChIKeyVVRYBYMKULYBBV-UHFFFAOYSA-N
XLogP2.07
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 51046542
N-[(2-methylphenyl)methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 8889561
N-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59018018
N-(2-ethoxyethyl)-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide
CID 59853619
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401
N-[(2-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 31251595
5-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824609
N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 47233638
2-N-[(2-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085604
5-methyl-2-(methylamino)-N-[(2-methylphenyl)methyl]benzamide
CID 62509176
5,6-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1H-pyridine-3-carboxamide
CID 70744904
N-[2-(2-methylphenyl)ethyl]-2-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 135132671

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide (CID 59017950) is N-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide is Cc1ccccc1CNC(=O)c1cc(-c2ccncc2)n[nH]c1=O.
What is the InChIKey of N-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide?
The InChIKey is VVRYBYMKULYBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-12-4-2-3-5-14(12)11-20-17(23)15-10-16(21-22-18(15)24)13-6-8-19-9-7-13/h2-10H,11H2,1H3,(H,20,23)(H,22,24).
What are the key properties of N-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide?
N-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-6-oxo-3-pyridin-4-yl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 59017950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).