N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

C18H15FN4O3 — CID 10150134

IUPACN-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESCNC(=O)c1cc(F)ccc1CNC(=O)c1ncc2cccnc2c1O
InChIInChI=1S/C18H15FN4O3/c1-20-17(25)13-7-12(19)5-4-10(13)8-23-18(26)15-16(24)14-11(9-22-15)3-2-6-21-14/h2-7,9,24H,8H2,1H3,(H,20,25)(H,23,26)
InChIKeyHSARUYWVLWVDPH-UHFFFAOYSA-N
MW354.34 g/mol
LogP1.76
Rot. Bonds4

About N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide

N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (PubChem CID 10150134) has the molecular formula C18H15FN4O3 and a molecular weight of 354.34 g/mol. Its IUPAC name is N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
PubChem CID10150134
Molecular FormulaC18H15FN4O3
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC NameN-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
SMILESCNC(=O)c1cc(F)ccc1CNC(=O)c1ncc2cccnc2c1O
InChIInChI=1S/C18H15FN4O3/c1-20-17(25)13-7-12(19)5-4-10(13)8-23-18(26)15-16(24)14-11(9-22-15)3-2-6-21-14/h2-7,9,24H,8H2,1H3,(H,20,25)(H,23,26)
InChIKeyHSARUYWVLWVDPH-UHFFFAOYSA-N
XLogP1.76
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The IUPAC name of N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide (CID 10150134) is N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is CNC(=O)c1cc(F)ccc1CNC(=O)c1ncc2cccnc2c1O.
What is the InChIKey of N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
The InChIKey is HSARUYWVLWVDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3/c1-20-17(25)13-7-12(19)5-4-10(13)8-23-18(26)15-16(24)14-11(9-22-15)3-2-6-21-14/h2-7,9,24H,8H2,1H3,(H,20,25)(H,23,26).
What are the key properties of N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide?
N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide has a molecular weight of 354.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(methylcarbamoyl)phenyl]methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 10150134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).