1-methyl-6-oxo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide

C16H15N3O2 — CID 5333980

IUPAC1-methyl-6-oxo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
SMILESCn1cc(C(=O)N/N=C/C=C/c2ccccc2)ccc1=O
InChIInChI=1S/C16H15N3O2/c1-19-12-14(9-10-15(19)20)16(21)18-17-11-5-8-13-6-3-2-4-7-13/h2-12H,1H3,(H,18,21)/b8-5+,17-11+
InChIKeyDAPOYUPJCRBBNE-NSYQEJESSA-N
MW281.31 g/mol
LogP1.81
Rot. Bonds4

About 1-methyl-6-oxo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide

1-methyl-6-oxo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide (PubChem CID 5333980) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
PubChem CID5333980
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name1-methyl-6-oxo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
SMILESCn1cc(C(=O)N/N=C/C=C/c2ccccc2)ccc1=O
InChIInChI=1S/C16H15N3O2/c1-19-12-14(9-10-15(19)20)16(21)18-17-11-5-8-13-6-3-2-4-7-13/h2-12H,1H3,(H,18,21)/b8-5+,17-11+
InChIKeyDAPOYUPJCRBBNE-NSYQEJESSA-N
XLogP1.81
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyano-3-(dimethylamino)-N'-(phenylmethylene)acrylohydrazide
CID 9637774
6-oxo-N'-((1E)-phenylmethylidene)-1,6-dihydropyridazine-3-carbohydrazide
CID 6483743
1-Methyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid (2-bromo-3-phenyl-allylidene)-hydrazide
CID 6868942
1-Methyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid (2-bromo-3-phenyl-allylide
CID 6868943
2-methyl-5-[(E)-2-phenylethenyl]pyridazin-3-one
CID 24750055
4-[[(Z)-benzylideneamino]-methylamino]-1H-pyridazin-6-one
CID 74890577
N-[(E)-(4-chlorophenyl)methylideneamino]-1-methyl-6-oxopyridine-3-carboxamide
CID 6871826
4-[(E)-3-phenylprop-2-enoyl]-1H-pyridazin-6-one
CID 44407540
2-methyl-5-[(E)-3-phenylprop-2-enoyl]pyridazin-3-one
CID 44407544
Benzylidene-2,4-dihydro-3h-pyrazol-3-one
CID 54193684
4-Benzylidenepyrazolone
CID 70602167
2-(2-Phenylethenyl)pyridazin-3-one
CID 123500512

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide (CID 5333980) is 1-methyl-6-oxo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide is Cn1cc(C(=O)N/N=C/C=C/c2ccccc2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
The InChIKey is DAPOYUPJCRBBNE-NSYQEJESSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-19-12-14(9-10-15(19)20)16(21)18-17-11-5-8-13-6-3-2-4-7-13/h2-12H,1H3,(H,18,21)/b8-5+,17-11+.
What are the key properties of 1-methyl-6-oxo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide?
1-methyl-6-oxo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide is sourced from PubChem (CID 5333980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).