1-butyl-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C20H27N3O2 — CID 118719586

IUPAC1-butyl-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2cccnc21
InChIInChI=1S/C20H27N3O2/c1-3-4-12-23-18-15(6-5-11-21-18)13-17(20(23)25)19(24)22-16-9-7-14(2)8-10-16/h5-6,11,13-14,16H,3-4,7-10,12H2,1-2H3,(H,22,24)
InChIKeyJNRWWIZRCYYVFH-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.51
Rot. Bonds5

About 1-butyl-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide

1-butyl-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 118719586) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-butyl-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID118719586
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-butyl-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2cccnc21
InChIInChI=1S/C20H27N3O2/c1-3-4-12-23-18-15(6-5-11-21-18)13-17(20(23)25)19(24)22-16-9-7-14(2)8-10-16/h5-6,11,13-14,16H,3-4,7-10,12H2,1-2H3,(H,22,24)
InChIKeyJNRWWIZRCYYVFH-UHFFFAOYSA-N
XLogP3.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-butyl-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 118719586) is 1-butyl-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-butyl-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide is CCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2cccnc21.
What is the InChIKey of 1-butyl-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is JNRWWIZRCYYVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-4-12-23-18-15(6-5-11-21-18)13-17(20(23)25)19(24)22-16-9-7-14(2)8-10-16/h5-6,11,13-14,16H,3-4,7-10,12H2,1-2H3,(H,22,24).
What are the key properties of 1-butyl-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
1-butyl-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118719586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).