N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide

C23H17N3O — CID 7256390

IUPACN-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide
SMILESO=C(N/N=C(/c1ccccc1)c1ccncc1)c1cccc2ccccc12
InChIInChI=1S/C23H17N3O/c27-23(21-12-6-10-17-7-4-5-11-20(17)21)26-25-22(18-8-2-1-3-9-18)19-13-15-24-16-14-19/h1-16H,(H,26,27)/b25-22-
InChIKeyQJXPFNSWWBPVEN-LVWGJNHUSA-N
MW351.41 g/mol
LogP4.42
Rot. Bonds4

About N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide

N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide (PubChem CID 7256390) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide
PubChem CID7256390
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC NameN-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide
SMILESO=C(N/N=C(/c1ccccc1)c1ccncc1)c1cccc2ccccc12
InChIInChI=1S/C23H17N3O/c27-23(21-12-6-10-17-7-4-5-11-20(17)21)26-25-22(18-8-2-1-3-9-18)19-13-15-24-16-14-19/h1-16H,(H,26,27)/b25-22-
InChIKeyQJXPFNSWWBPVEN-LVWGJNHUSA-N
XLogP4.42
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.42
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-[[phenyl(pyridin-4-yl)methylidene]amino]-1H-indole-3-carboxamide
CID 5082604
2-methoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide;hydrochloride
CID 88671183
3-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6522388
3-bromo-N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6872195
2,4-dichloro-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 3429251
N-(benzhydrylideneamino)-2-hydroxybenzamide
CID 24574931
N-[3-(naphthalene-1-carbonylamino)phenyl]pyridine-4-carboxamide
CID 55610557
2-hydroxy-N-[(E)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide
CID 6263609
3,4,5-triethoxy-N-[[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 4105259
N'-[[phenyl(pyridin-4-yl)methylidene]amino]oxamide
CID 4192624
N-(butan-2-ylideneamino)naphthalene-1-carboxamide
CID 4560020
N-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide
CID 4079400

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide?
The IUPAC name of N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide (CID 7256390) is N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide is O=C(N/N=C(/c1ccccc1)c1ccncc1)c1cccc2ccccc12.
What is the InChIKey of N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide?
The InChIKey is QJXPFNSWWBPVEN-LVWGJNHUSA-N. The full InChI is InChI=1S/C23H17N3O/c27-23(21-12-6-10-17-7-4-5-11-20(17)21)26-25-22(18-8-2-1-3-9-18)19-13-15-24-16-14-19/h1-16H,(H,26,27)/b25-22-.
What are the key properties of N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide?
N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[phenyl(pyridin-4-yl)methylidene]amino]naphthalene-1-carboxamide is sourced from PubChem (CID 7256390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).