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

C36H36F4N6O2 — CID 139573523

IUPAC6-(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
SMILESCc1c(NC(=O)c2ccc3c(n2)CCN(CC(F)F)C3)cccc1-c1cccc(NC(=O)c2ccc3c(n2)CCN(CC(F)F)C3)c1C
InChIInChI=1S/C36H36F4N6O2/c1-21-25(5-3-7-27(21)43-35(47)31-11-9-23-17-45(19-33(37)38)15-13-29(23)41-31)26-6-4-8-28(22(26)2)44-36(48)32-12-10-24-18-46(20-34(39)40)16-14-30(24)42-32/h3-12,33-34H,13-20H2,1-2H3,(H,43,47)(H,44,48)
InChIKeyIQFBOQDRJLGUOD-UHFFFAOYSA-N
MW660.72 g/mol
LogP6.51
Rot. Bonds9

About 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

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 (PubChem CID 139573523) has the molecular formula C36H36F4N6O2 and a molecular weight of 660.72 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID139573523
Molecular FormulaC36H36F4N6O2
Molecular Weight660.72 g/mol
Exact Mass660.28
IUPAC Name6-(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
SMILESCc1c(NC(=O)c2ccc3c(n2)CCN(CC(F)F)C3)cccc1-c1cccc(NC(=O)c2ccc3c(n2)CCN(CC(F)F)C3)c1C
InChIInChI=1S/C36H36F4N6O2/c1-21-25(5-3-7-27(21)43-35(47)31-11-9-23-17-45(19-33(37)38)15-13-29(23)41-31)26-6-4-8-28(22(26)2)44-36(48)32-12-10-24-18-46(20-34(39)40)16-14-30(24)42-32/h3-12,33-34H,13-20H2,1-2H3,(H,43,47)(H,44,48)
InChIKeyIQFBOQDRJLGUOD-UHFFFAOYSA-N
XLogP6.51
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.72
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

N-[2-chloro-3-(3-chloro-2-fluorophenyl)phenyl]-6-(2-hydroxyethyl)-7,8-dihydro-5H-1,6-naphthyridine-2-carboxamide
CID 177381025
tert-butyl 2-[(3-bromo-2-methylphenyl)carbamoyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 139573584
N-[3-[2-chloro-3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]phenyl]-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 135146551
6-benzyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylic acid
CID 46839896
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
N-[2-chloro-3-[3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]phenyl]-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 135146686
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-[[3-[3-[[5-(2-hydroxypropyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethyl]bicyclo[2.2.1]heptane-1-carboxylic acid
CID 146234721
2-[2-[[3-[2-chloro-3-[(1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]-2-methylphenyl]carbamoyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]acetic acid
CID 135146602
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-8-fluoroquinoline-2-carboxamide
CID 97117742
N-[3-[2-chloro-3-[(1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-2-carbonyl)amino]phenyl]-2-methylphenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
CID 135165143
methyl 1-[[3-chloro-4-[[4-[3-[[5-(2,2-difluoroethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carbonyl]amino]-2-methylphenyl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-fluoro-6-methoxyphenyl]methylamino]cyclopropane-1-carboxylate
CID 175387049

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(NC(=O)c2ccc3c(n2)CCN(CC(F)F)C3)cccc1-c1cccc(NC(=O)c2ccc3c(n2)CCN(CC(F)F)C3)c1C.
What is the InChIKey of 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?
The InChIKey is IQFBOQDRJLGUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36F4N6O2/c1-21-25(5-3-7-27(21)43-35(47)31-11-9-23-17-45(19-33(37)38)15-13-29(23)41-31)26-6-4-8-28(22(26)2)44-36(48)32-12-10-24-18-46(20-34(39)40)16-14-30(24)42-32/h3-12,33-34H,13-20H2,1-2H3,(H,43,47)(H,44,48).
What are the key properties of 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?
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 has a molecular weight of 660.72 g/mol, XLogP of 6.51, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139573523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).