N-[(E)-[(E)-but-2-enylidene]amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C16H18N4O2 — CID 45278452

IUPACN-[(E)-[(E)-but-2-enylidene]amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESC/C=C/C=N/NC(=O)c1cn(CC)c2nc(C)ccc2c1=O
InChIInChI=1S/C16H18N4O2/c1-4-6-9-17-19-16(22)13-10-20(5-2)15-12(14(13)21)8-7-11(3)18-15/h4,6-10H,5H2,1-3H3,(H,19,22)/b6-4+,17-9+
InChIKeyUIBXUQKBDZXYRC-PVJLSQOWSA-N
MW298.35 g/mol
LogP2.02
Rot. Bonds4

About N-[(E)-[(E)-but-2-enylidene]amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

N-[(E)-[(E)-but-2-enylidene]amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 45278452) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[(E)-[(E)-but-2-enylidene]amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-but-2-enylidene]amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID45278452
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[(E)-[(E)-but-2-enylidene]amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESC/C=C/C=N/NC(=O)c1cn(CC)c2nc(C)ccc2c1=O
InChIInChI=1S/C16H18N4O2/c1-4-6-9-17-19-16(22)13-10-20(5-2)15-12(14(13)21)8-7-11(3)18-15/h4,6-10H,5H2,1-3H3,(H,19,22)/b6-4+,17-9+
InChIKeyUIBXUQKBDZXYRC-PVJLSQOWSA-N
XLogP2.02
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-but-2-enylidene]amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(E)-[(E)-but-2-enylidene]amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 45278452) is N-[(E)-[(E)-but-2-enylidene]amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-but-2-enylidene]amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(E)-[(E)-but-2-enylidene]amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is C/C=C/C=N/NC(=O)c1cn(CC)c2nc(C)ccc2c1=O.
What is the InChIKey of N-[(E)-[(E)-but-2-enylidene]amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is UIBXUQKBDZXYRC-PVJLSQOWSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-4-6-9-17-19-16(22)13-10-20(5-2)15-12(14(13)21)8-7-11(3)18-15/h4,6-10H,5H2,1-3H3,(H,19,22)/b6-4+,17-9+.
What are the key properties of N-[(E)-[(E)-but-2-enylidene]amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
N-[(E)-[(E)-but-2-enylidene]amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-but-2-enylidene]amino]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 45278452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).