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

C19H25N3O4 — CID 118735893

IUPAC4-hydroxy-1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2c(O)c3cccnc3n(CCCO)c2=O)CC1
InChIInChI=1S/C19H25N3O4/c1-12-5-7-13(8-6-12)21-18(25)15-16(24)14-4-2-9-20-17(14)22(19(15)26)10-3-11-23/h2,4,9,12-13,23-24H,3,5-8,10-11H2,1H3,(H,21,25)
InChIKeyVSDKISJUKCDNCT-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.79
Rot. Bonds5

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

4-hydroxy-1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 118735893) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-hydroxy-1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID118735893
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name4-hydroxy-1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1CCC(NC(=O)c2c(O)c3cccnc3n(CCCO)c2=O)CC1
InChIInChI=1S/C19H25N3O4/c1-12-5-7-13(8-6-12)21-18(25)15-16(24)14-4-2-9-20-17(14)22(19(15)26)10-3-11-23/h2,4,9,12-13,23-24H,3,5-8,10-11H2,1H3,(H,21,25)
InChIKeyVSDKISJUKCDNCT-UHFFFAOYSA-N
XLogP1.79
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-hydroxy-1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 118735893) is 4-hydroxy-1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide is CC1CCC(NC(=O)c2c(O)c3cccnc3n(CCCO)c2=O)CC1.
What is the InChIKey of 4-hydroxy-1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is VSDKISJUKCDNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-12-5-7-13(8-6-12)21-18(25)15-16(24)14-4-2-9-20-17(14)22(19(15)26)10-3-11-23/h2,4,9,12-13,23-24H,3,5-8,10-11H2,1H3,(H,21,25).
What are the key properties of 4-hydroxy-1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
4-hydroxy-1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-hydroxypropyl)-N-(4-methylcyclohexyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 118735893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).