2-(6-amino-3-pyridinyl)-N-[(3R)-1-methylpiperidin-3-yl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide

C25H26F3N5O2 — CID 178093419

IUPAC2-(6-amino-3-pyridinyl)-N-[(3R)-1-methylpiperidin-3-yl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide
SMILESCN1CCC[C@@H](NC(=O)c2cc(-c3ccc(OCC(F)(F)F)cc3)nc(-c3ccc(N)nc3)c2)C1
InChIInChI=1S/C25H26F3N5O2/c1-33-10-2-3-19(14-33)31-24(34)18-11-21(32-22(12-18)17-6-9-23(29)30-13-17)16-4-7-20(8-5-16)35-15-25(26,27)28/h4-9,11-13,19H,2-3,10,14-15H2,1H3,(H2,29,30)(H,31,34)/t19-/m1/s1
InChIKeyQCITUWIOLLSHLO-LJQANCHMSA-N
MW485.51 g/mol
LogP4.16
Rot. Bonds6

About 2-(6-amino-3-pyridinyl)-N-[(3R)-1-methylpiperidin-3-yl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide

2-(6-amino-3-pyridinyl)-N-[(3R)-1-methylpiperidin-3-yl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide (PubChem CID 178093419) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-N-[(3R)-1-methylpiperidin-3-yl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(6-amino-3-pyridinyl)-N-[(3R)-1-methylpiperidin-3-yl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide
PubChem CID178093419
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC Name2-(6-amino-3-pyridinyl)-N-[(3R)-1-methylpiperidin-3-yl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide
SMILESCN1CCC[C@@H](NC(=O)c2cc(-c3ccc(OCC(F)(F)F)cc3)nc(-c3ccc(N)nc3)c2)C1
InChIInChI=1S/C25H26F3N5O2/c1-33-10-2-3-19(14-33)31-24(34)18-11-21(32-22(12-18)17-6-9-23(29)30-13-17)16-4-7-20(8-5-16)35-15-25(26,27)28/h4-9,11-13,19H,2-3,10,14-15H2,1H3,(H2,29,30)(H,31,34)/t19-/m1/s1
InChIKeyQCITUWIOLLSHLO-LJQANCHMSA-N
XLogP4.16
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide;ethane
CID 178093408
1-[4-[[(3S)-1-methylpiperidin-3-yl]carbamoyl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]pyrazole-4-carboxylic acid
CID 178093572
1-[4-[(1-methylpiperidin-3-yl)carbamoyl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]pyrazole-4-carboxylic acid
CID 178093555
2-(4-methylimidazol-1-yl)-N-(1-methylpiperidin-3-yl)-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide
CID 178093355
2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide
CID 178093607
[2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate
CID 150279764
2-[(Z)-1-amino-3-methyliminobut-1-en-2-yl]-N-(1-methylpiperidin-3-yl)-4-[4-(2,2,2-trifluoroethoxy)phenyl]-1,2-dihydropyrimidine-6-carboxamide;ethane
CID 178093475
3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 61211762
4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292
3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]-N-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 52532296
N-(1-methylpiperidin-3-yl)-1H-indazole-6-carboxamide
CID 55133135
3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 171933201

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-N-[(3R)-1-methylpiperidin-3-yl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(6-amino-3-pyridinyl)-N-[(3R)-1-methylpiperidin-3-yl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide (CID 178093419) is 2-(6-amino-3-pyridinyl)-N-[(3R)-1-methylpiperidin-3-yl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(6-amino-3-pyridinyl)-N-[(3R)-1-methylpiperidin-3-yl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(6-amino-3-pyridinyl)-N-[(3R)-1-methylpiperidin-3-yl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide is CN1CCC[C@@H](NC(=O)c2cc(-c3ccc(OCC(F)(F)F)cc3)nc(-c3ccc(N)nc3)c2)C1.
What is the InChIKey of 2-(6-amino-3-pyridinyl)-N-[(3R)-1-methylpiperidin-3-yl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide?
The InChIKey is QCITUWIOLLSHLO-LJQANCHMSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-33-10-2-3-19(14-33)31-24(34)18-11-21(32-22(12-18)17-6-9-23(29)30-13-17)16-4-7-20(8-5-16)35-15-25(26,27)28/h4-9,11-13,19H,2-3,10,14-15H2,1H3,(H2,29,30)(H,31,34)/t19-/m1/s1.
What are the key properties of 2-(6-amino-3-pyridinyl)-N-[(3R)-1-methylpiperidin-3-yl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide?
2-(6-amino-3-pyridinyl)-N-[(3R)-1-methylpiperidin-3-yl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide has a molecular weight of 485.51 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-pyridinyl)-N-[(3R)-1-methylpiperidin-3-yl]-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 178093419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).