N-(4-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

C25H22ClFN6O2 — CID 146469045

IUPACN-(4-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)Nc1ccc(Cl)cc1)C2
InChIInChI=1S/C25H22ClFN6O2/c1-16-23(33(31-30-16)21-9-5-19(27)6-10-21)15-35-24-11-2-17-14-32(13-12-22(17)29-24)25(34)28-20-7-3-18(26)4-8-20/h2-11H,12-15H2,1H3,(H,28,34)
InChIKeyCCAFNGSVEHDEMI-UHFFFAOYSA-N
MW492.94 g/mol
LogP4.93
Rot. Bonds5

About N-(4-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide

N-(4-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (PubChem CID 146469045) has the molecular formula C25H22ClFN6O2 and a molecular weight of 492.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
PubChem CID146469045
Molecular FormulaC25H22ClFN6O2
Molecular Weight492.94 g/mol
Exact Mass492.15
IUPAC NameN-(4-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
SMILESCc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)Nc1ccc(Cl)cc1)C2
InChIInChI=1S/C25H22ClFN6O2/c1-16-23(33(31-30-16)21-9-5-19(27)6-10-21)15-35-24-11-2-17-14-32(13-12-22(17)29-24)25(34)28-20-7-3-18(26)4-8-20/h2-11H,12-15H2,1H3,(H,28,34)
InChIKeyCCAFNGSVEHDEMI-UHFFFAOYSA-N
XLogP4.93
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.94
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide (CID 146469045) is N-(4-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is Cc1nnn(-c2ccc(F)cc2)c1COc1ccc2c(n1)CCN(C(=O)Nc1ccc(Cl)cc1)C2.
What is the InChIKey of N-(4-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
The InChIKey is CCAFNGSVEHDEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN6O2/c1-16-23(33(31-30-16)21-9-5-19(27)6-10-21)15-35-24-11-2-17-14-32(13-12-22(17)29-24)25(34)28-20-7-3-18(26)4-8-20/h2-11H,12-15H2,1H3,(H,28,34).
What are the key properties of N-(4-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide?
N-(4-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide has a molecular weight of 492.94 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[3-(4-fluorophenyl)-5-methyltriazol-4-yl]methoxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 146469045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).