N-[2-chloro-3-(3-chloro-2-fluorophenyl)phenyl]-6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide

C23H20Cl2FN3O2 — CID 177381025

IUPACN-[2-chloro-3-(3-chloro-2-fluorophenyl)phenyl]-6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(Cl)c2F)c1Cl)c1ccc2c(n1)CCN(CCO)C2
InChIInChI=1S/C23H20Cl2FN3O2/c24-17-5-1-4-16(22(17)26)15-3-2-6-19(21(15)25)28-23(31)20-8-7-14-13-29(11-12-30)10-9-18(14)27-20/h1-8,30H,9-13H2,(H,28,31)
InChIKeyXDEMMKDCIKZVGK-UHFFFAOYSA-N
MW460.34 g/mol
LogP4.80
Rot. Bonds5

About N-[2-chloro-3-(3-chloro-2-fluorophenyl)phenyl]-6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide

N-[2-chloro-3-(3-chloro-2-fluorophenyl)phenyl]-6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide (PubChem CID 177381025) has the molecular formula C23H20Cl2FN3O2 and a molecular weight of 460.34 g/mol. Its IUPAC name is N-[2-chloro-3-(3-chloro-2-fluorophenyl)phenyl]-6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-3-(3-chloro-2-fluorophenyl)phenyl]-6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
PubChem CID177381025
Molecular FormulaC23H20Cl2FN3O2
Molecular Weight460.34 g/mol
Exact Mass459.09
IUPAC NameN-[2-chloro-3-(3-chloro-2-fluorophenyl)phenyl]-6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
SMILESO=C(Nc1cccc(-c2cccc(Cl)c2F)c1Cl)c1ccc2c(n1)CCN(CCO)C2
InChIInChI=1S/C23H20Cl2FN3O2/c24-17-5-1-4-16(22(17)26)15-3-2-6-19(21(15)25)28-23(31)20-8-7-14-13-29(11-12-30)10-9-18(14)27-20/h1-8,30H,9-13H2,(H,28,31)
InChIKeyXDEMMKDCIKZVGK-UHFFFAOYSA-N
XLogP4.80
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.34
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,2-difluoroethyl)-N-[3-[3-[[6-(2,2-difluoroethyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
CID 139573523
2-[2-[[2-chloro-3-(2-fluorophenyl)phenyl]methoxy]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanol
CID 171633438
N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-(piperidin-1-ylmethyl)pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
CID 170265453
6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid
CID 46839896
5-[2-(1-bicyclo[2.2.1]heptanyl)ethyl]-N-[3-[2-chloro-3-[[5-(2-hydroxyethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]-2-methylphenyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 175849123
N-[3-[3-[[5-(4-hydroxybutyl)pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]-7-(2-hydroxyethyl)-4-methyl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 167644071
4-[2-[[2-chloro-3-[2-chloro-3-[[1-methyl-5-(5-methyl-4-oxohexyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]phenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]butanoic acid
CID 167379878
N-[2-chloro-3-[2-chloro-3-[[4-cyclopropyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-7-(3-hydroxypropyl)-6,8-dihydro-5H-2,7-naphthyridine-3-carboxamide
CID 166901398
N-(2,3-dichlorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 1202921
N-(3-chloro-2-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 9146166
6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558439
N-[2-chloro-3-[3-[[5-(2,3-dihydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 135146552

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-(3-chloro-2-fluorophenyl)phenyl]-6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-[2-chloro-3-(3-chloro-2-fluorophenyl)phenyl]-6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide (CID 177381025) is N-[2-chloro-3-(3-chloro-2-fluorophenyl)phenyl]-6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-[2-chloro-3-(3-chloro-2-fluorophenyl)phenyl]-6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-[2-chloro-3-(3-chloro-2-fluorophenyl)phenyl]-6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide is O=C(Nc1cccc(-c2cccc(Cl)c2F)c1Cl)c1ccc2c(n1)CCN(CCO)C2.
What is the InChIKey of N-[2-chloro-3-(3-chloro-2-fluorophenyl)phenyl]-6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
The InChIKey is XDEMMKDCIKZVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2FN3O2/c24-17-5-1-4-16(22(17)26)15-3-2-6-19(21(15)25)28-23(31)20-8-7-14-13-29(11-12-30)10-9-18(14)27-20/h1-8,30H,9-13H2,(H,28,31).
What are the key properties of N-[2-chloro-3-(3-chloro-2-fluorophenyl)phenyl]-6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide?
N-[2-chloro-3-(3-chloro-2-fluorophenyl)phenyl]-6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide has a molecular weight of 460.34 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-(3-chloro-2-fluorophenyl)phenyl]-6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 177381025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).