1-ethyl-7-methyl-4-oxo-N-(2-oxoazepan-3-yl)-1,8-naphthyridine-3-carboxamide

C18H22N4O3 — CID 23959970

IUPAC1-ethyl-7-methyl-4-oxo-N-(2-oxoazepan-3-yl)-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NC2CCCCNC2=O)c(=O)c2ccc(C)nc21
InChIInChI=1S/C18H22N4O3/c1-3-22-10-13(15(23)12-8-7-11(2)20-16(12)22)17(24)21-14-6-4-5-9-19-18(14)25/h7-8,10,14H,3-6,9H2,1-2H3,(H,19,25)(H,21,24)
InChIKeyFNXYEVZSULHKFI-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.12
Rot. Bonds3

About 1-ethyl-7-methyl-4-oxo-N-(2-oxoazepan-3-yl)-1,8-naphthyridine-3-carboxamide

1-ethyl-7-methyl-4-oxo-N-(2-oxoazepan-3-yl)-1,8-naphthyridine-3-carboxamide (PubChem CID 23959970) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-ethyl-7-methyl-4-oxo-N-(2-oxoazepan-3-yl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-7-methyl-4-oxo-N-(2-oxoazepan-3-yl)-1,8-naphthyridine-3-carboxamide
PubChem CID23959970
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-ethyl-7-methyl-4-oxo-N-(2-oxoazepan-3-yl)-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NC2CCCCNC2=O)c(=O)c2ccc(C)nc21
InChIInChI=1S/C18H22N4O3/c1-3-22-10-13(15(23)12-8-7-11(2)20-16(12)22)17(24)21-14-6-4-5-9-19-18(14)25/h7-8,10,14H,3-6,9H2,1-2H3,(H,19,25)(H,21,24)
InChIKeyFNXYEVZSULHKFI-UHFFFAOYSA-N
XLogP1.12
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-4-oxo-N-(2-oxoazepan-3-yl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-7-methyl-4-oxo-N-(2-oxoazepan-3-yl)-1,8-naphthyridine-3-carboxamide (CID 23959970) is 1-ethyl-7-methyl-4-oxo-N-(2-oxoazepan-3-yl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-7-methyl-4-oxo-N-(2-oxoazepan-3-yl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-7-methyl-4-oxo-N-(2-oxoazepan-3-yl)-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)NC2CCCCNC2=O)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-4-oxo-N-(2-oxoazepan-3-yl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is FNXYEVZSULHKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-22-10-13(15(23)12-8-7-11(2)20-16(12)22)17(24)21-14-6-4-5-9-19-18(14)25/h7-8,10,14H,3-6,9H2,1-2H3,(H,19,25)(H,21,24).
What are the key properties of 1-ethyl-7-methyl-4-oxo-N-(2-oxoazepan-3-yl)-1,8-naphthyridine-3-carboxamide?
1-ethyl-7-methyl-4-oxo-N-(2-oxoazepan-3-yl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-4-oxo-N-(2-oxoazepan-3-yl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 23959970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).