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

C17H15N5O2 — CID 11809403

IUPACN-[(E)-1-(4-aminophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc2cccnc2[nH]c1=O)c1ccc(N)cc1
InChIInChI=1S/C17H15N5O2/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,18H2,1H3,(H,22,24)(H,19,20,23)/b21-10+
InChIKeyGIDWWJJWSAEEFK-UFFVCSGVSA-N
MW321.34 g/mol
LogP1.66
Rot. Bonds3

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

N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide (PubChem CID 11809403) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-aminophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide
PubChem CID11809403
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC NameN-[(E)-1-(4-aminophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide
SMILESC/C(=N\NC(=O)c1cc2cccnc2[nH]c1=O)c1ccc(N)cc1
InChIInChI=1S/C17H15N5O2/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,18H2,1H3,(H,22,24)(H,19,20,23)/b21-10+
InChIKeyGIDWWJJWSAEEFK-UFFVCSGVSA-N
XLogP1.66
TPSA113.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide
CID 10936746
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
N-[(E)-1-(4-aminophenyl)ethylideneamino]pyrazine-2-carboxamide
CID 139078457
ethyl 2-oxo-1H-1,8-naphthyridine-3-carboxylate
CID 11564777
N-[(E)-1-(4-aminophenyl)ethylideneamino]quinoline-2-carboxamide
CID 97186271
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
CID 17337861
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
3-hydroxy-N-(1-pyridin-3-ylethylideneamino)naphthalene-2-carboxamide
CID 771599
4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
CID 3435127
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-2-hydroxynaphthalene-1-carboxamide
CID 27511302
N-[1-(4-aminophenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 742328
3-hydroxy-N-(1-naphthalen-2-ylethylideneamino)naphthalene-2-carboxamide
CID 4655754

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide (CID 11809403) is N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide is C/C(=N\NC(=O)c1cc2cccnc2[nH]c1=O)c1ccc(N)cc1.
What is the InChIKey of N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
The InChIKey is GIDWWJJWSAEEFK-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H15N5O2/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,18H2,1H3,(H,22,24)(H,19,20,23)/b21-10+.
What are the key properties of N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide?
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-oxo-1H-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 11809403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).