N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide

C18H21N3O — CID 5394794

IUPACN-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N/NC(=O)c1ccncc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H21N3O/c1-13(14-5-7-16(8-6-14)18(2,3)4)20-21-17(22)15-9-11-19-12-10-15/h5-12H,1-4H3,(H,21,22)/b20-13-
InChIKeyNLZKYTHQBJIFFO-MOSHPQCFSA-N
MW295.39 g/mol
LogP3.53
Rot. Bonds3

About N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide

N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide (PubChem CID 5394794) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide
PubChem CID5394794
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC NameN-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N/NC(=O)c1ccncc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H21N3O/c1-13(14-5-7-16(8-6-14)18(2,3)4)20-21-17(22)15-9-11-19-12-10-15/h5-12H,1-4H3,(H,21,22)/b20-13-
InChIKeyNLZKYTHQBJIFFO-MOSHPQCFSA-N
XLogP3.53
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.53
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

N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
N-[1-(4-tert-butylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4836871
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
CID 6183873
4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
CID 3435127
N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide
CID 3606783
N-[(E)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 25237502
N-[(Z)-1-[4-[(4-fluorobenzoyl)amino]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 39818795
3,4,5-trihydroxy-N-(1-pyridin-4-ylethylideneamino)benzamide
CID 903912
4-tert-butyl-N-[(E)-1-[6-[(E)-N-[(4-tert-butylbenzoyl)amino]-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]benzamide
CID 15787905
[1-(4-tert-butylphenyl)ethylideneamino]urea
CID 5041387
4-tert-butyl-N-[1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 4061369
(1-pyridin-4-ylethylideneamino)urea
CID 2755736

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide (CID 5394794) is N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide is C/C(=N/NC(=O)c1ccncc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide?
The InChIKey is NLZKYTHQBJIFFO-MOSHPQCFSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13(14-5-7-16(8-6-14)18(2,3)4)20-21-17(22)15-9-11-19-12-10-15/h5-12H,1-4H3,(H,21,22)/b20-13-.
What are the key properties of N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide?
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 5394794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).