1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxamide

C23H25N3O3 — CID 24873535

IUPAC1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc2c(=O)c(C(=O)NC3CCCCC3)cn(Cc3ccccc3)c2n1
InChIInChI=1S/C23H25N3O3/c1-29-20-13-12-18-21(27)19(23(28)24-17-10-6-3-7-11-17)15-26(22(18)25-20)14-16-8-4-2-5-9-16/h2,4-5,8-9,12-13,15,17H,3,6-7,10-11,14H2,1H3,(H,24,28)
InChIKeyIBRGBURIIAWWKO-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.52
Rot. Bonds5

About 1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxamide

1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 24873535) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID24873535
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc2c(=O)c(C(=O)NC3CCCCC3)cn(Cc3ccccc3)c2n1
InChIInChI=1S/C23H25N3O3/c1-29-20-13-12-18-21(27)19(23(28)24-17-10-6-3-7-11-17)15-26(22(18)25-20)14-16-8-4-2-5-9-16/h2,4-5,8-9,12-13,15,17H,3,6-7,10-11,14H2,1H3,(H,24,28)
InChIKeyIBRGBURIIAWWKO-UHFFFAOYSA-N
XLogP3.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxamide (CID 24873535) is 1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxamide is COc1ccc2c(=O)c(C(=O)NC3CCCCC3)cn(Cc3ccccc3)c2n1.
What is the InChIKey of 1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is IBRGBURIIAWWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-29-20-13-12-18-21(27)19(23(28)24-17-10-6-3-7-11-17)15-26(22(18)25-20)14-16-8-4-2-5-9-16/h2,4-5,8-9,12-13,15,17H,3,6-7,10-11,14H2,1H3,(H,24,28).
What are the key properties of 1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxamide?
1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 24873535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).