3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide

C22H19F5N6O2 — CID 126707105

IUPAC3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESNc1cc(C(F)(F)F)c(-c2c(F)cccc2F)nc1C(=O)Nc1cncnc1OC1CCNCC1
InChIInChI=1S/C22H19F5N6O2/c23-13-2-1-3-14(24)17(13)18-12(22(25,26)27)8-15(28)19(33-18)20(34)32-16-9-30-10-31-21(16)35-11-4-6-29-7-5-11/h1-3,8-11,29H,4-7,28H2,(H,32,34)
InChIKeyNJRYXDPXSSJBGS-UHFFFAOYSA-N
MW494.42 g/mol
LogP3.80
Rot. Bonds5

About 3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide

3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 126707105) has the molecular formula C22H19F5N6O2 and a molecular weight of 494.42 g/mol. Its IUPAC name is 3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID126707105
Molecular FormulaC22H19F5N6O2
Molecular Weight494.42 g/mol
Exact Mass494.15
IUPAC Name3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESNc1cc(C(F)(F)F)c(-c2c(F)cccc2F)nc1C(=O)Nc1cncnc1OC1CCNCC1
InChIInChI=1S/C22H19F5N6O2/c23-13-2-1-3-14(24)17(13)18-12(22(25,26)27)8-15(28)19(33-18)20(34)32-16-9-30-10-31-21(16)35-11-4-6-29-7-5-11/h1-3,8-11,29H,4-7,28H2,(H,32,34)
InChIKeyNJRYXDPXSSJBGS-UHFFFAOYSA-N
XLogP3.80
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.42
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide;ethane
CID 145274432
3-amino-N-[5-(azepan-4-yloxy)-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126717936
3-amino-6-(2,6-difluorophenyl)-5-fluoro-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]pyridine-2-carboxamide;hydrochloride
CID 126745065
3-amino-6-(2,6-difluorophenyl)-N-[5-(piperidin-4-ylmethoxy)-1,2-thiazol-4-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126717740
3-amino-N-[5-(4-aminocyclohexyl)oxy-1,2-thiazol-4-yl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 126744038
N-[4-(azepan-4-yloxy)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126712847
5-amino-2-(2,6-difluorophenyl)-N-[4-(piperidin-4-ylmethoxy)pyrimidin-5-yl]-1,3-thiazole-4-carboxamide;ethane
CID 145420311
2-amino-6-fluoro-N-(4-piperidin-4-yloxypyrimidin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90448275
2-(2,6-difluorophenyl)-N-[4-[(1S,3R)-3-hydroxycyclopentyl]oxypyrimidin-5-yl]-1,3-thiazole-4-carboxamide
CID 71261555
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)-5-fluoro-N-(5-piperidin-4-yloxy-1,2-thiazol-4-yl)pyridine-2-carboxamide;hydrochloride
CID 126744026

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 126707105) is 3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide is Nc1cc(C(F)(F)F)c(-c2c(F)cccc2F)nc1C(=O)Nc1cncnc1OC1CCNCC1.
What is the InChIKey of 3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is NJRYXDPXSSJBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F5N6O2/c23-13-2-1-3-14(24)17(13)18-12(22(25,26)27)8-15(28)19(33-18)20(34)32-16-9-30-10-31-21(16)35-11-4-6-29-7-5-11/h1-3,8-11,29H,4-7,28H2,(H,32,34).
What are the key properties of 3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 494.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2,6-difluorophenyl)-N-(4-piperidin-4-yloxypyrimidin-5-yl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 126707105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).