N-(4-chlorophenyl)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carboxamide

C25H22ClF3N4O — CID 155093046

IUPACN-(4-chlorophenyl)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1(c2ccc3c(n2)CCCN3c2cccc(C(F)(F)F)n2)CCC1
InChIInChI=1S/C25H22ClF3N4O/c26-16-7-9-17(10-8-16)30-23(34)24(13-3-14-24)20-12-11-19-18(31-20)4-2-15-33(19)22-6-1-5-21(32-22)25(27,28)29/h1,5-12H,2-4,13-15H2,(H,30,34)
InChIKeyIAHMIBMNDDFISV-UHFFFAOYSA-N
MW486.93 g/mol
LogP6.29
Rot. Bonds4

About N-(4-chlorophenyl)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carboxamide

N-(4-chlorophenyl)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carboxamide (PubChem CID 155093046) has the molecular formula C25H22ClF3N4O and a molecular weight of 486.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carboxamide
PubChem CID155093046
Molecular FormulaC25H22ClF3N4O
Molecular Weight486.93 g/mol
Exact Mass486.14
IUPAC NameN-(4-chlorophenyl)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1(c2ccc3c(n2)CCCN3c2cccc(C(F)(F)F)n2)CCC1
InChIInChI=1S/C25H22ClF3N4O/c26-16-7-9-17(10-8-16)30-23(34)24(13-3-14-24)20-12-11-19-18(31-20)4-2-15-33(19)22-6-1-5-21(32-22)25(27,28)29/h1,5-12H,2-4,13-15H2,(H,30,34)
InChIKeyIAHMIBMNDDFISV-UHFFFAOYSA-N
XLogP6.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.93
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl 6-[1-[(4-fluorophenyl)carbamoyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 142580380
N-(4-fluorophenyl)-5-[5-(2-methylpyrimidin-4-yl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide
CID 142580291
1-[5-(cyclopropanecarbonyl)-7,8-dihydro-6H-1,5-naphthyridin-2-yl]-N-(5-fluoro-2-pyridinyl)cyclobutane-1-carboxamide
CID 142580302
cyclopropyl 6-[1-[2-(4-chlorophenyl)acetyl]cyclobutyl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 159733918
N-but-1-en-2-ylethanimine;N-(4-fluorophenyl)-5-[5-[2-(trifluoromethyl)pyrimidin-4-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]spiro[2.3]hexane-5-carboxamide;2,2,2-trifluoroacetaldehyde
CID 142580534
1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
CID 166608825
N-(4-chlorophenyl)-1-(2-fluorophenyl)cyclobutane-1-carboxamide
CID 110438567
tert-butyl 6-[3-[(4-fluorophenyl)carbamoyl]oxetan-3-yl]-3,4-dihydro-2H-1,5-naphthyridine-1-carboxylate
CID 155093209
N-(4-chlorophenyl)-6-(3,4-dihydro-2H-quinolin-1-yl)pyridine-3-carboxamide
CID 109162476
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
1-N'-(4-chlorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982590
N-(4-fluorophenyl)-5-[1-(2-methylpyrimidin-4-yl)-3,4-dihydro-2H-quinolin-6-yl]spiro[2.3]hexane-5-carboxamide;2,2,2-trifluoroacetate
CID 158723765

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carboxamide (CID 155093046) is N-(4-chlorophenyl)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carboxamide is O=C(Nc1ccc(Cl)cc1)C1(c2ccc3c(n2)CCCN3c2cccc(C(F)(F)F)n2)CCC1.
What is the InChIKey of N-(4-chlorophenyl)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carboxamide?
The InChIKey is IAHMIBMNDDFISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF3N4O/c26-16-7-9-17(10-8-16)30-23(34)24(13-3-14-24)20-12-11-19-18(31-20)4-2-15-33(19)22-6-1-5-21(32-22)25(27,28)29/h1,5-12H,2-4,13-15H2,(H,30,34).
What are the key properties of N-(4-chlorophenyl)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carboxamide?
N-(4-chlorophenyl)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carboxamide has a molecular weight of 486.93 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[5-[6-(trifluoromethyl)-2-pyridinyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 155093046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).