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

C21H29N3O2 — CID 118719587

IUPACN-(4-methylcyclohexyl)-2-oxo-1-pentyl-1,8-naphthyridine-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2cccnc21
InChIInChI=1S/C21H29N3O2/c1-3-4-5-13-24-19-16(7-6-12-22-19)14-18(21(24)26)20(25)23-17-10-8-15(2)9-11-17/h6-7,12,14-15,17H,3-5,8-11,13H2,1-2H3,(H,23,25)
InChIKeyBWRCKQFJHWQYMH-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.90
Rot. Bonds6

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

N-(4-methylcyclohexyl)-2-oxo-1-pentyl-1,8-naphthyridine-3-carboxamide (PubChem CID 118719587) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-oxo-1-pentyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-oxo-1-pentyl-1,8-naphthyridine-3-carboxamide
PubChem CID118719587
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-(4-methylcyclohexyl)-2-oxo-1-pentyl-1,8-naphthyridine-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2cccnc21
InChIInChI=1S/C21H29N3O2/c1-3-4-5-13-24-19-16(7-6-12-22-19)14-18(21(24)26)20(25)23-17-10-8-15(2)9-11-17/h6-7,12,14-15,17H,3-5,8-11,13H2,1-2H3,(H,23,25)
InChIKeyBWRCKQFJHWQYMH-UHFFFAOYSA-N
XLogP3.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-oxo-1-pentyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-oxo-1-pentyl-1,8-naphthyridine-3-carboxamide (CID 118719587) is N-(4-methylcyclohexyl)-2-oxo-1-pentyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-oxo-1-pentyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-oxo-1-pentyl-1,8-naphthyridine-3-carboxamide is CCCCCn1c(=O)c(C(=O)NC2CCC(C)CC2)cc2cccnc21.
What is the InChIKey of N-(4-methylcyclohexyl)-2-oxo-1-pentyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is BWRCKQFJHWQYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-3-4-5-13-24-19-16(7-6-12-22-19)14-18(21(24)26)20(25)23-17-10-8-15(2)9-11-17/h6-7,12,14-15,17H,3-5,8-11,13H2,1-2H3,(H,23,25).
What are the key properties of N-(4-methylcyclohexyl)-2-oxo-1-pentyl-1,8-naphthyridine-3-carboxamide?
N-(4-methylcyclohexyl)-2-oxo-1-pentyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-oxo-1-pentyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118719587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).