N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide

C16H17N3O — CID 904362

IUPACN-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide
SMILESCC(C)C(=NNC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C16H17N3O/c1-12(2)15(13-6-4-3-5-7-13)18-19-16(20)14-8-10-17-11-9-14/h3-12H,1-2H3,(H,19,20)
InChIKeyWXMQWZXSIDUMAR-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.87
Rot. Bonds4

About N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide

N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide (PubChem CID 904362) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide
PubChem CID904362
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide
SMILESCC(C)C(=NNC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C16H17N3O/c1-12(2)15(13-6-4-3-5-7-13)18-19-16(20)14-8-10-17-11-9-14/h3-12H,1-2H3,(H,19,20)
InChIKeyWXMQWZXSIDUMAR-UHFFFAOYSA-N
XLogP2.87
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
CID 5417702
4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 3512909
N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
CID 46202828
N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide
CID 6154232
[(2-methyl-1-phenylpropylidene)amino]urea
CID 73200660
3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 4152734
N-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide
CID 84902461
N-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide
CID 134884255
N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide
CID 4982210
N-[(Z)-(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide
CID 6538181
N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]pyridine-4-carboxamide
CID 6236263
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide?
The IUPAC name of N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide (CID 904362) is N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide is CC(C)C(=NNC(=O)c1ccncc1)c1ccccc1.
What is the InChIKey of N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide?
The InChIKey is WXMQWZXSIDUMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-12(2)15(13-6-4-3-5-7-13)18-19-16(20)14-8-10-17-11-9-14/h3-12H,1-2H3,(H,19,20).
What are the key properties of N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide?
N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide is sourced from PubChem (CID 904362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).