N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide

C17H13ClN4O2 — CID 10936746

IUPACN-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc2cccnc2[nH]c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN4O2/c1-10(11-4-6-13(18)7-5-11)21-22-17(24)14-9-12-3-2-8-19-15(12)20-16(14)23/h2-9H,1H3,(H,22,24)(H,19,20,23)/b21-10+
InChIKeyUXGDUQVMRJNFNU-UFFVCSGVSA-N
MW340.77 g/mol
LogP2.73
Rot. Bonds3

About N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide

N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide (PubChem CID 10936746) has the molecular formula C17H13ClN4O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide
PubChem CID10936746
Molecular FormulaC17H13ClN4O2
Molecular Weight340.77 g/mol
Exact Mass340.07
IUPAC NameN-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc2cccnc2[nH]c1=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN4O2/c1-10(11-4-6-13(18)7-5-11)21-22-17(24)14-9-12-3-2-8-19-15(12)20-16(14)23/h2-9H,1H3,(H,22,24)(H,19,20,23)/b21-10+
InChIKeyUXGDUQVMRJNFNU-UFFVCSGVSA-N
XLogP2.73
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-aminophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 11809403
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
2,4-dichloro-N-[1-(4-chlorophenyl)ethylideneamino]benzamide
CID 904479
N-[1-[4-[(4-chlorobenzoyl)amino]phenyl]ethylideneamino]pyridine-2-carboxamide
CID 5158930
N-[1-[4-[(4-chlorophenyl)carbamoylamino]phenyl]ethylideneamino]pyridine-3-carboxamide
CID 3265838
N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3563023
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 11564777
N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 4161102
5-bromo-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 6183167
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-hydroxybenzamide
CID 3386192
N-[4-chloro-2-[[(E)-1-(4-methylphenyl)ethylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 58712775
3-hydroxy-N-(1-pyridin-3-ylethylideneamino)naphthalene-2-carboxamide
CID 771599

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide (CID 10936746) is N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide is C/C(=N\NC(=O)c1cc2cccnc2[nH]c1=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The InChIKey is UXGDUQVMRJNFNU-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H13ClN4O2/c1-10(11-4-6-13(18)7-5-11)21-22-17(24)14-9-12-3-2-8-19-15(12)20-16(14)23/h2-9H,1H3,(H,22,24)(H,19,20,23)/b21-10+.
What are the key properties of N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide has a molecular weight of 340.77 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10936746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).