5-(3-fluorophenyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine

C36H26F7N7O — CID 161115032

IUPAC5-(3-fluorophenyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2ccnc(C(F)(F)F)c2)nc1.O=C(NCc1ccc(-c2ccnc(C(F)(F)F)c2)nc1)c1ccc(-c2cccc(F)c2)cn1
InChIInChI=1S/C24H16F4N4O.C12H10F3N3/c25-19-3-1-2-16(10-19)18-5-7-21(31-14-18)23(33)32-13-15-4-6-20(30-12-15)17-8-9-29-22(11-17)24(26,27)28;13-12(14,15)11-5-9(3-4-17-11)10-2-1-8(6-16)7-18-10/h1-12,14H,13H2,(H,32,33);1-5,7H,6,16H2
InChIKeyUKEXXLPOFMYTES-UHFFFAOYSA-N
MW705.64 g/mol
LogP7.91
Rot. Bonds7

About 5-(3-fluorophenyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine

5-(3-fluorophenyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine (PubChem CID 161115032) has the molecular formula C36H26F7N7O and a molecular weight of 705.64 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine
PubChem CID161115032
Molecular FormulaC36H26F7N7O
Molecular Weight705.64 g/mol
Exact Mass705.21
IUPAC Name5-(3-fluorophenyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2ccnc(C(F)(F)F)c2)nc1.O=C(NCc1ccc(-c2ccnc(C(F)(F)F)c2)nc1)c1ccc(-c2cccc(F)c2)cn1
InChIInChI=1S/C24H16F4N4O.C12H10F3N3/c25-19-3-1-2-16(10-19)18-5-7-21(31-14-18)23(33)32-13-15-4-6-20(30-12-15)17-8-9-29-22(11-17)24(26,27)28;13-12(14,15)11-5-9(3-4-17-11)10-2-1-8(6-16)7-18-10/h1-12,14H,13H2,(H,32,33);1-5,7H,6,16H2
InChIKeyUKEXXLPOFMYTES-UHFFFAOYSA-N
XLogP7.91
TPSA119.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.64
LogP ≤ 57.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(3-fluorophenyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

Lgh-447
CID 44814409
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 24894053
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 46179491
N-(4-((1R,3S)-3-aminocyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide
CID 59226389
(S)-3-amino-N-(4-(3-aminopiperidin-1-yl)pyridin-3-yl)-6-(2-fluorophenyl)picolinamide
CID 68187375
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 68187480
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-4-ylpyridine-2-carboxamide
CID 68187593
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-3-ylpyridine-2-carboxamide
CID 68187641
Tc-6987
CID 44511587
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 127041542
N-[4-[(3S,5R)-3-amino-5-methylpiperidin-1-yl]-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 127042183
N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyridine-2-carboxamide;hydrochloride
CID 145968016

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine?
The IUPAC name of 5-(3-fluorophenyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine (CID 161115032) is 5-(3-fluorophenyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine.
What is the SMILES notation for 5-(3-fluorophenyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine?
The canonical SMILES for 5-(3-fluorophenyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine is NCc1ccc(-c2ccnc(C(F)(F)F)c2)nc1.O=C(NCc1ccc(-c2ccnc(C(F)(F)F)c2)nc1)c1ccc(-c2cccc(F)c2)cn1.
What is the InChIKey of 5-(3-fluorophenyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine?
The InChIKey is UKEXXLPOFMYTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N4O.C12H10F3N3/c25-19-3-1-2-16(10-19)18-5-7-21(31-14-18)23(33)32-13-15-4-6-20(30-12-15)17-8-9-29-22(11-17)24(26,27)28;13-12(14,15)11-5-9(3-4-17-11)10-2-1-8(6-16)7-18-10/h1-12,14H,13H2,(H,32,33);1-5,7H,6,16H2.
What are the key properties of 5-(3-fluorophenyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine?
5-(3-fluorophenyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine has a molecular weight of 705.64 g/mol, XLogP of 7.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-2-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine is sourced from PubChem (CID 161115032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).