5-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C24H21ClF3N3O3 — CID 167851739

IUPAC5-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1Cc2ccccc2CN1)c1cncc(-c2ccc(Cl)cc2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H20ClN3O.C2HF3O2/c23-20-7-5-15(6-8-20)18-9-19(12-24-11-18)22(27)26-14-21-10-16-3-1-2-4-17(16)13-25-21;3-2(4,5)1(6)7/h1-9,11-12,21,25H,10,13-14H2,(H,26,27);(H,6,7)
InChIKeyCHRKBTNWFREKJR-UHFFFAOYSA-N
MW491.90 g/mol
LogP4.48
Rot. Bonds4

About 5-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

5-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 167851739) has the molecular formula C24H21ClF3N3O3 and a molecular weight of 491.90 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID167851739
Molecular FormulaC24H21ClF3N3O3
Molecular Weight491.90 g/mol
Exact Mass491.12
IUPAC Name5-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCC1Cc2ccccc2CN1)c1cncc(-c2ccc(Cl)cc2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H20ClN3O.C2HF3O2/c23-20-7-5-15(6-8-20)18-9-19(12-24-11-18)22(27)26-14-21-10-16-3-1-2-4-17(16)13-25-21;3-2(4,5)1(6)7/h1-9,11-12,21,25H,10,13-14H2,(H,26,27);(H,6,7)
InChIKeyCHRKBTNWFREKJR-UHFFFAOYSA-N
XLogP4.48
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.90
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-hydroxy-N-[[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 158628161
3-chloro-4-pyridin-4-yloxy-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)benzamide
CID 166362478
N-phenyl-6-(1,2,3,4-tetrahydroisoquinolin-3-ylmethylamino)pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166364471
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CID 119498518
5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide
CID 71730774
5-amino-1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyrazole-3-carboxamide
CID 138030092
5-[4-[(3-phenylpropylamino)methyl]phenyl]-N-propylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44526956
N-cyclopropyl-5-(4-phenylphenyl)pyridine-3-carboxamide
CID 42845850
N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide
CID 42845323
(3S,4S)-1-[5-(4-chlorophenyl)pyridine-3-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951694
5-[4-[(cyclopentylamino)methyl]phenyl]-N-[(2S)-2-methylbutyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44526924
1,2,3,4-tetrahydroisoquinoline-3-carboxamide;2,2,2-trifluoroacetic acid
CID 159156879

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 167851739) is 5-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCC1Cc2ccccc2CN1)c1cncc(-c2ccc(Cl)cc2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CHRKBTNWFREKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O.C2HF3O2/c23-20-7-5-15(6-8-20)18-9-19(12-24-11-18)22(27)26-14-21-10-16-3-1-2-4-17(16)13-25-21;3-2(4,5)1(6)7/h1-9,11-12,21,25H,10,13-14H2,(H,26,27);(H,6,7).
What are the key properties of 5-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
5-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 491.90 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167851739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).