2-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]pyridine-4-carboxamide

C22H19F3N4O2 — CID 177051378

IUPAC2-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)NC2CCCc3cnc(-c4ccnc(C(F)(F)F)c4)cc32)ccn1
InChIInChI=1S/C22H19F3N4O2/c1-31-20-10-14(6-8-27-20)21(30)29-17-4-2-3-15-12-28-18(11-16(15)17)13-5-7-26-19(9-13)22(23,24)25/h5-12,17H,2-4H2,1H3,(H,29,30)
InChIKeyKTIJBRHCOSXLRM-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.37
Rot. Bonds4

About 2-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]pyridine-4-carboxamide

2-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]pyridine-4-carboxamide (PubChem CID 177051378) has the molecular formula C22H19F3N4O2 and a molecular weight of 428.41 g/mol. Its IUPAC name is 2-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]pyridine-4-carboxamide
PubChem CID177051378
Molecular FormulaC22H19F3N4O2
Molecular Weight428.41 g/mol
Exact Mass428.15
IUPAC Name2-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]pyridine-4-carboxamide
SMILESCOc1cc(C(=O)NC2CCCc3cnc(-c4ccnc(C(F)(F)F)c4)cc32)ccn1
InChIInChI=1S/C22H19F3N4O2/c1-31-20-10-14(6-8-27-20)21(30)29-17-4-2-3-15-12-28-18(11-16(15)17)13-5-7-26-19(9-13)22(23,24)25/h5-12,17H,2-4H2,1H3,(H,29,30)
InChIKeyKTIJBRHCOSXLRM-UHFFFAOYSA-N
XLogP4.37
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

4-methyl-2-(trifluoromethyl)-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]-1,3-oxazole-5-carboxamide
CID 177051394
2-methoxy-N-[(8S)-2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-4-carboxamide
CID 177051390
4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl]-1,3-oxazole-5-carboxamide
CID 177051508
3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinolin-5-yl]benzamide
CID 177049778
2-ethoxy-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-4-yl]pyridine-4-carboxamide
CID 177050566
1-methyl-3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinazolin-8-yl]pyrazole-5-carboxamide
CID 177051457
N-cyclohexyl-2-methoxypyridine-4-carboxamide
CID 110848962
N-[(4R)-2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-4-yl]-3-(trifluoromethyl)benzamide
CID 177296237
methanamine;3-[2-(trifluoromethyl)-4-pyridinyl]-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 177051680
3-fluoro-5-methoxy-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]benzamide
CID 177050677
2,6-dimethyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl]pyridine-4-carboxamide
CID 177051168
3-methoxy-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
CID 177050752

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]pyridine-4-carboxamide?
The IUPAC name of 2-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]pyridine-4-carboxamide (CID 177051378) is 2-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]pyridine-4-carboxamide is COc1cc(C(=O)NC2CCCc3cnc(-c4ccnc(C(F)(F)F)c4)cc32)ccn1.
What is the InChIKey of 2-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]pyridine-4-carboxamide?
The InChIKey is KTIJBRHCOSXLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O2/c1-31-20-10-14(6-8-27-20)21(30)29-17-4-2-3-15-12-28-18(11-16(15)17)13-5-7-26-19(9-13)22(23,24)25/h5-12,17H,2-4H2,1H3,(H,29,30).
What are the key properties of 2-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]pyridine-4-carboxamide?
2-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]pyridine-4-carboxamide has a molecular weight of 428.41 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 177051378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).