N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

C23H25N3O4 — CID 59699642

IUPACN-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cccnc32)cc1
InChIInChI=1S/C23H25N3O4/c1-30-17-11-9-15(10-12-17)14-26-21-18(8-5-13-24-21)20(27)19(23(26)29)22(28)25-16-6-3-2-4-7-16/h5,8-13,16,27H,2-4,6-7,14H2,1H3,(H,25,28)
InChIKeyJJDSBTSAFAWBAT-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.22
Rot. Bonds5

About N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide

N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 59699642) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID59699642
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cccnc32)cc1
InChIInChI=1S/C23H25N3O4/c1-30-17-11-9-15(10-12-17)14-26-21-18(8-5-13-24-21)20(27)19(23(26)29)22(28)25-16-6-3-2-4-7-16/h5,8-13,16,27H,2-4,6-7,14H2,1H3,(H,25,28)
InChIKeyJJDSBTSAFAWBAT-UHFFFAOYSA-N
XLogP3.22
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 59699642) is N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is COc1ccc(Cn2c(=O)c(C(=O)NC3CCCCC3)c(O)c3cccnc32)cc1.
What is the InChIKey of N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is JJDSBTSAFAWBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-30-17-11-9-15(10-12-17)14-26-21-18(8-5-13-24-21)20(27)19(23(26)29)22(28)25-16-6-3-2-4-7-16/h5,8-13,16,27H,2-4,6-7,14H2,1H3,(H,25,28).
What are the key properties of N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 59699642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).