3-amino-N-(4-piperidin-1-yl-3-pyridinyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide

C22H21F3N6O — CID 162556222

IUPAC3-amino-N-(4-piperidin-1-yl-3-pyridinyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
SMILESNc1ccc(-c2ncccc2C(F)(F)F)nc1C(=O)Nc1cnccc1N1CCCCC1
InChIInChI=1S/C22H21F3N6O/c23-22(24,25)14-5-4-9-28-19(14)16-7-6-15(26)20(29-16)21(32)30-17-13-27-10-8-18(17)31-11-2-1-3-12-31/h4-10,13H,1-3,11-12,26H2,(H,30,32)
InChIKeyZGWZGHQORZDFSF-UHFFFAOYSA-N
MW442.45 g/mol
LogP4.38
Rot. Bonds4

About 3-amino-N-(4-piperidin-1-yl-3-pyridinyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide

3-amino-N-(4-piperidin-1-yl-3-pyridinyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 162556222) has the molecular formula C22H21F3N6O and a molecular weight of 442.45 g/mol. Its IUPAC name is 3-amino-N-(4-piperidin-1-yl-3-pyridinyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-piperidin-1-yl-3-pyridinyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
PubChem CID162556222
Molecular FormulaC22H21F3N6O
Molecular Weight442.45 g/mol
Exact Mass442.17
IUPAC Name3-amino-N-(4-piperidin-1-yl-3-pyridinyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
SMILESNc1ccc(-c2ncccc2C(F)(F)F)nc1C(=O)Nc1cnccc1N1CCCCC1
InChIInChI=1S/C22H21F3N6O/c23-22(24,25)14-5-4-9-28-19(14)16-7-6-15(26)20(29-16)21(32)30-17-13-27-10-8-18(17)31-11-2-1-3-12-31/h4-10,13H,1-3,11-12,26H2,(H,30,32)
InChIKeyZGWZGHQORZDFSF-UHFFFAOYSA-N
XLogP4.38
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-(4-piperidin-1-yl-3-pyridinyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-(6-acetyl-2-pyridinyl)-3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 77419885
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-thiophen-2-ylthiophen-2-yl)pyridine-2-carboxamide
CID 77420803
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(4-methylsulfonylphenyl)pyridine-2-carboxamide
CID 25051457
5-amino-2-(2-chloro-6-fluorophenyl)-N-(4-piperidin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 118476218
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(4-methylthiophen-2-yl)pyridine-2-carboxamide
CID 77420686
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(5-ethoxy-2-fluorophenyl)pyridine-2-carboxamide
CID 77420793
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2,5-difluoro-4-methoxyphenyl)pyridine-2-carboxamide
CID 77420647
3-amino-N-[3-[4-amino-4-(difluoromethoxymethyl)piperidin-1-yl]-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]pyrazine-2-carboxamide
CID 118873296
[(3S)-1-[3-[[3-amino-6-(5-carbamoyl-2-fluorophenyl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperidin-3-yl] benzoate
CID 145468544
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-phenoxypyridine-2-carboxamide
CID 72725607
3-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-6-(2-fluoro-5-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 77420726
3-amino-N-[4-(azepan-1-yl)-3-pyridinyl]-6-[2-fluoro-5-(2-methylpropoxy)phenyl]pyrazine-2-carboxamide;ethane
CID 176978522

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-piperidin-1-yl-3-pyridinyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-piperidin-1-yl-3-pyridinyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide (CID 162556222) is 3-amino-N-(4-piperidin-1-yl-3-pyridinyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-piperidin-1-yl-3-pyridinyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-piperidin-1-yl-3-pyridinyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide is Nc1ccc(-c2ncccc2C(F)(F)F)nc1C(=O)Nc1cnccc1N1CCCCC1.
What is the InChIKey of 3-amino-N-(4-piperidin-1-yl-3-pyridinyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is ZGWZGHQORZDFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O/c23-22(24,25)14-5-4-9-28-19(14)16-7-6-15(26)20(29-16)21(32)30-17-13-27-10-8-18(17)31-11-2-1-3-12-31/h4-10,13H,1-3,11-12,26H2,(H,30,32).
What are the key properties of 3-amino-N-(4-piperidin-1-yl-3-pyridinyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
3-amino-N-(4-piperidin-1-yl-3-pyridinyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 442.45 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-piperidin-1-yl-3-pyridinyl)-6-[3-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 162556222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).