N-[5-(1-methyl-6-oxopyridazin-4-yl)-2-pyridinyl]-2-phenylacetamide

C18H16N4O2 — CID 155597474

IUPACN-[5-(1-methyl-6-oxopyridazin-4-yl)-2-pyridinyl]-2-phenylacetamide
SMILESCn1ncc(-c2ccc(NC(=O)Cc3ccccc3)nc2)cc1=O
InChIInChI=1S/C18H16N4O2/c1-22-18(24)10-15(12-20-22)14-7-8-16(19-11-14)21-17(23)9-13-5-3-2-4-6-13/h2-8,10-12H,9H2,1H3,(H,19,21,23)
InChIKeyUNJUWDWJSOGSQE-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.02
Rot. Bonds4

About N-[5-(1-methyl-6-oxopyridazin-4-yl)-2-pyridinyl]-2-phenylacetamide

N-[5-(1-methyl-6-oxopyridazin-4-yl)-2-pyridinyl]-2-phenylacetamide (PubChem CID 155597474) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[5-(1-methyl-6-oxopyridazin-4-yl)-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(1-methyl-6-oxopyridazin-4-yl)-2-pyridinyl]-2-phenylacetamide
PubChem CID155597474
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[5-(1-methyl-6-oxopyridazin-4-yl)-2-pyridinyl]-2-phenylacetamide
SMILESCn1ncc(-c2ccc(NC(=O)Cc3ccccc3)nc2)cc1=O
InChIInChI=1S/C18H16N4O2/c1-22-18(24)10-15(12-20-22)14-7-8-16(19-11-14)21-17(23)9-13-5-3-2-4-6-13/h2-8,10-12H,9H2,1H3,(H,19,21,23)
InChIKeyUNJUWDWJSOGSQE-UHFFFAOYSA-N
XLogP2.02
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide
CID 155597466
2-(4-methylphenyl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 90935995
N-[5-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide
CID 139426258
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 155597416
N-(5-cyano-2-pyridinyl)-2-phenylacetamide
CID 62355347
1-methyl-5-[(2-phenylacetyl)amino]pyrazole-4-carboxamide
CID 110472119
N-[5-(4-methylpyrazol-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 166005878
N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide
CID 175623102
2-(4-phenylphenyl)-N-(5-pyrazin-2-yl-2-pyridinyl)acetamide
CID 167973654
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55951935
N-[6-methyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 155597300
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55952063

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methyl-6-oxopyridazin-4-yl)-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[5-(1-methyl-6-oxopyridazin-4-yl)-2-pyridinyl]-2-phenylacetamide (CID 155597474) is N-[5-(1-methyl-6-oxopyridazin-4-yl)-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(1-methyl-6-oxopyridazin-4-yl)-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[5-(1-methyl-6-oxopyridazin-4-yl)-2-pyridinyl]-2-phenylacetamide is Cn1ncc(-c2ccc(NC(=O)Cc3ccccc3)nc2)cc1=O.
What is the InChIKey of N-[5-(1-methyl-6-oxopyridazin-4-yl)-2-pyridinyl]-2-phenylacetamide?
The InChIKey is UNJUWDWJSOGSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-22-18(24)10-15(12-20-22)14-7-8-16(19-11-14)21-17(23)9-13-5-3-2-4-6-13/h2-8,10-12H,9H2,1H3,(H,19,21,23).
What are the key properties of N-[5-(1-methyl-6-oxopyridazin-4-yl)-2-pyridinyl]-2-phenylacetamide?
N-[5-(1-methyl-6-oxopyridazin-4-yl)-2-pyridinyl]-2-phenylacetamide has a molecular weight of 320.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methyl-6-oxopyridazin-4-yl)-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 155597474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).