N-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C24H21F5N4O2 — CID 126712847

IUPACN-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1OC1CCCNCC1)c1ccc(C(F)(F)F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C24H21F5N4O2/c25-16-4-1-5-17(26)21(16)22-15(24(27,28)29)6-7-18(32-22)23(34)33-19-13-31-12-9-20(19)35-14-3-2-10-30-11-8-14/h1,4-7,9,12-14,30H,2-3,8,10-11H2,(H,33,34)
InChIKeyNMGXYRRNXFYHHK-UHFFFAOYSA-N
MW492.45 g/mol
LogP5.21
Rot. Bonds5

About N-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide

N-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 126712847) has the molecular formula C24H21F5N4O2 and a molecular weight of 492.45 g/mol. Its IUPAC name is N-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID126712847
Molecular FormulaC24H21F5N4O2
Molecular Weight492.45 g/mol
Exact Mass492.16
IUPAC NameN-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1OC1CCCNCC1)c1ccc(C(F)(F)F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C24H21F5N4O2/c25-16-4-1-5-17(26)21(16)22-15(24(27,28)29)6-7-18(32-22)23(34)33-19-13-31-12-9-20(19)35-14-3-2-10-30-11-8-14/h1,4-7,9,12-14,30H,2-3,8,10-11H2,(H,33,34)
InChIKeyNMGXYRRNXFYHHK-UHFFFAOYSA-N
XLogP5.21
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.45
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-(3-aminocyclohexyl)oxy-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 126744496
6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxy-3-pyridinyl)pyridine-2-carboxamide
CID 71262676
6-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126712802
3-amino-N-[5-(azepan-4-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126717936
N-[5-(3-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126744011
N-[4-(azepan-3-yloxy)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 71262741
6-(2,6-difluorophenyl)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride
CID 126744026
3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126707105
3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide;ethane
CID 145274432
6-(2,6-difluorophenyl)-5-fluoro-N-[4-(4-hydroxybutoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 118413553
N-[4-(1-carbamoylpiperidin-4-yl)oxy-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 71262725
4-piperidin-4-yloxy-3-(trifluoromethyl)pyridine;hydrochloride
CID 166104292

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 126712847) is N-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cnccc1OC1CCCNCC1)c1ccc(C(F)(F)F)c(-c2c(F)cccc2F)n1.
What is the InChIKey of N-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is NMGXYRRNXFYHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F5N4O2/c25-16-4-1-5-17(26)21(16)22-15(24(27,28)29)6-7-18(32-22)23(34)33-19-13-31-12-9-20(19)35-14-3-2-10-30-11-8-14/h1,4-7,9,12-14,30H,2-3,8,10-11H2,(H,33,34).
What are the key properties of N-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 492.45 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 126712847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).