N-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide

C16H17N3O — CID 9059924

IUPACN-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide
SMILESC/C(CCc1ccccc1)=N/NC(=O)c1cccnc1
InChIInChI=1S/C16H17N3O/c1-13(9-10-14-6-3-2-4-7-14)18-19-16(20)15-8-5-11-17-12-15/h2-8,11-12H,9-10H2,1H3,(H,19,20)/b18-13-
InChIKeyOWWUCQYJFJHGKY-AQTBWJFISA-N
MW267.33 g/mol
LogP2.82
Rot. Bonds5

About N-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide

N-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide (PubChem CID 9059924) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide
PubChem CID9059924
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide
SMILESC/C(CCc1ccccc1)=N/NC(=O)c1cccnc1
InChIInChI=1S/C16H17N3O/c1-13(9-10-14-6-3-2-4-7-14)18-19-16(20)15-8-5-11-17-12-15/h2-8,11-12H,9-10H2,1H3,(H,19,20)/b18-13-
InChIKeyOWWUCQYJFJHGKY-AQTBWJFISA-N
XLogP2.82
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.82
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-bromo-N-[(E)-4-phenylbutan-2-ylideneamino]benzamide
CID 7563691
N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide
CID 5337549
4-nitro-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 5331274
N-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]pyridine-3-carboxamide
CID 3313414
3,4-dimethoxy-N-[(Z)-4-phenylbutan-2-ylideneamino]benzamide
CID 9232703
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 135889728
2-phenyl-N-[(Z)-1-pyridin-3-ylethylideneamino]acetamide
CID 5414702
methyl N-[(Z)-4-phenylbutan-2-ylideneamino]carbamate
CID 9075450
N'-[(Z)-4-phenylbutan-2-ylideneamino]oxamide
CID 9120882
N-[(Z)-4-phenylbutan-2-ylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9233501
N-[[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]pyridine-3-carboxamide
CID 3611093
N-benzylpyridine-3-carboxamide chloride
CID 21204170

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide (CID 9059924) is N-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide is C/C(CCc1ccccc1)=N/NC(=O)c1cccnc1.
What is the InChIKey of N-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide?
The InChIKey is OWWUCQYJFJHGKY-AQTBWJFISA-N. The full InChI is InChI=1S/C16H17N3O/c1-13(9-10-14-6-3-2-4-7-14)18-19-16(20)15-8-5-11-17-12-15/h2-8,11-12H,9-10H2,1H3,(H,19,20)/b18-13-.
What are the key properties of N-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide?
N-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 9059924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).