N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(2-oxo-1-pyridinyl)benzamide

C23H17N3O3 — CID 146303494

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(2-oxo-1-pyridinyl)benzamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C23H17N3O3/c27-21-13-10-16-5-1-2-6-19(16)20(21)15-24-25-23(29)17-8-11-18(12-9-17)26-14-4-3-7-22(26)28/h1-15,27H,(H,25,29)/b24-15+
InChIKeyKPRBCTZYLDUUOH-BUVRLJJBSA-N
MW383.41 g/mol
LogP3.46
Rot. Bonds4

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(2-oxo-1-pyridinyl)benzamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(2-oxo-1-pyridinyl)benzamide (PubChem CID 146303494) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(2-oxo-1-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(2-oxo-1-pyridinyl)benzamide
PubChem CID146303494
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(2-oxo-1-pyridinyl)benzamide
SMILESO=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(-n2ccccc2=O)cc1
InChIInChI=1S/C23H17N3O3/c27-21-13-10-16-5-1-2-6-19(16)20(21)15-24-25-23(29)17-8-11-18(12-9-17)26-14-4-3-7-22(26)28/h1-15,27H,(H,25,29)/b24-15+
InChIKeyKPRBCTZYLDUUOH-BUVRLJJBSA-N
XLogP3.46
TPSA83.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-phenylbenzamide
CID 135472549
4-(dimethylamino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135465938
4-acetamido-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 966653
4-(dimethylamino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 136737019
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanamide
CID 172961658
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 135578967
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
3-fluoro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135837487
3-chloro-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzamide
CID 137122870

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(2-oxo-1-pyridinyl)benzamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(2-oxo-1-pyridinyl)benzamide (CID 146303494) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(2-oxo-1-pyridinyl)benzamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(2-oxo-1-pyridinyl)benzamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(2-oxo-1-pyridinyl)benzamide is O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(-n2ccccc2=O)cc1.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(2-oxo-1-pyridinyl)benzamide?
The InChIKey is KPRBCTZYLDUUOH-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H17N3O3/c27-21-13-10-16-5-1-2-6-19(16)20(21)15-24-25-23(29)17-8-11-18(12-9-17)26-14-4-3-7-22(26)28/h1-15,27H,(H,25,29)/b24-15+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(2-oxo-1-pyridinyl)benzamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(2-oxo-1-pyridinyl)benzamide has a molecular weight of 383.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-(2-oxo-1-pyridinyl)benzamide is sourced from PubChem (CID 146303494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).