5-amino-2-(4-fluoropiperidin-1-yl)-6-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide

C19H27F4N5O — CID 67957969

IUPAC5-amino-2-(4-fluoropiperidin-1-yl)-6-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
SMILESCNc1nc(N2CCC(F)CC2)c(C(=O)NC2CCC(C(F)(F)F)CC2)cc1N
InChIInChI=1S/C19H27F4N5O/c1-25-16-15(24)10-14(17(27-16)28-8-6-12(20)7-9-28)18(29)26-13-4-2-11(3-5-13)19(21,22)23/h10-13H,2-9,24H2,1H3,(H,25,27)(H,26,29)
InChIKeyJEYDKARIODMXQU-UHFFFAOYSA-N
MW417.45 g/mol
LogP3.49
Rot. Bonds4

About 5-amino-2-(4-fluoropiperidin-1-yl)-6-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide

5-amino-2-(4-fluoropiperidin-1-yl)-6-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide (PubChem CID 67957969) has the molecular formula C19H27F4N5O and a molecular weight of 417.45 g/mol. Its IUPAC name is 5-amino-2-(4-fluoropiperidin-1-yl)-6-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(4-fluoropiperidin-1-yl)-6-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
PubChem CID67957969
Molecular FormulaC19H27F4N5O
Molecular Weight417.45 g/mol
Exact Mass417.22
IUPAC Name5-amino-2-(4-fluoropiperidin-1-yl)-6-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
SMILESCNc1nc(N2CCC(F)CC2)c(C(=O)NC2CCC(C(F)(F)F)CC2)cc1N
InChIInChI=1S/C19H27F4N5O/c1-25-16-15(24)10-14(17(27-16)28-8-6-12(20)7-9-28)18(29)26-13-4-2-11(3-5-13)19(21,22)23/h10-13H,2-9,24H2,1H3,(H,25,27)(H,26,29)
InChIKeyJEYDKARIODMXQU-UHFFFAOYSA-N
XLogP3.49
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-3-fluoro-2-[(3R)-3-fluoropyrrolidin-1-yl]-4-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 86666487
2-(2,6-dichloro-3-methylanilino)-5-(4-fluoropiperidin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 88538418
5-amino-2-(4-cyclopropylpiperazin-1-yl)-4-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 67978832
6-[[2-(dimethylamino)-2-oxoethyl]amino]-5-nitro-N-[4-(trifluoromethyl)cyclohexyl]-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 148614444
5-amino-4-(methylamino)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 67978893
2-amino-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 61213533
2-methylpropyl N-[[2,4-dichloro-5-fluoro-3-[[5-(4-fluoropiperidin-1-yl)-6-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]-1H-imidazo[4,5-b]pyridin-2-yl]amino]phenyl]methyl]carbamate
CID 123667811
5-amino-4-(methylamino)-2-[methyl(prop-2-ynyl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 86666477
2-(4-fluoropiperidin-1-yl)-6-(methylamino)-5-nitropyridine-3-carboxylic acid
CID 67957701
N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 166189320
5-amino-4-(2,2-difluoroethylamino)-2-(4-hydroxy-4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 88539240
5-amino-4-(methylamino)-2-[methyl(thiolan-3-yl)amino]-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 67978803

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-fluoropiperidin-1-yl)-6-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-(4-fluoropiperidin-1-yl)-6-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide (CID 67957969) is 5-amino-2-(4-fluoropiperidin-1-yl)-6-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(4-fluoropiperidin-1-yl)-6-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-(4-fluoropiperidin-1-yl)-6-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide is CNc1nc(N2CCC(F)CC2)c(C(=O)NC2CCC(C(F)(F)F)CC2)cc1N.
What is the InChIKey of 5-amino-2-(4-fluoropiperidin-1-yl)-6-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is JEYDKARIODMXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F4N5O/c1-25-16-15(24)10-14(17(27-16)28-8-6-12(20)7-9-28)18(29)26-13-4-2-11(3-5-13)19(21,22)23/h10-13H,2-9,24H2,1H3,(H,25,27)(H,26,29).
What are the key properties of 5-amino-2-(4-fluoropiperidin-1-yl)-6-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide?
5-amino-2-(4-fluoropiperidin-1-yl)-6-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide has a molecular weight of 417.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-fluoropiperidin-1-yl)-6-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 67957969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).