6-[(4-cyano-2-pyridinyl)methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide

C20H15F3N6O — CID 58440227

IUPAC6-[(4-cyano-2-pyridinyl)methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide
SMILESN#Cc1ccnc(Cc2cc(NCc3cnccc3C(F)(F)F)c(C(N)=O)cn2)c1
InChIInChI=1S/C20H15F3N6O/c21-20(22,23)17-2-3-26-9-13(17)10-29-18-7-15(28-11-16(18)19(25)30)6-14-5-12(8-24)1-4-27-14/h1-5,7,9,11H,6,10H2,(H2,25,30)(H,28,29)
InChIKeyUJHSDHDEDFLXPL-UHFFFAOYSA-N
MW412.38 g/mol
LogP3.06
Rot. Bonds6

About 6-[(4-cyano-2-pyridinyl)methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide

6-[(4-cyano-2-pyridinyl)methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide (PubChem CID 58440227) has the molecular formula C20H15F3N6O and a molecular weight of 412.38 g/mol. Its IUPAC name is 6-[(4-cyano-2-pyridinyl)methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-cyano-2-pyridinyl)methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide
PubChem CID58440227
Molecular FormulaC20H15F3N6O
Molecular Weight412.38 g/mol
Exact Mass412.13
IUPAC Name6-[(4-cyano-2-pyridinyl)methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide
SMILESN#Cc1ccnc(Cc2cc(NCc3cnccc3C(F)(F)F)c(C(N)=O)cn2)c1
InChIInChI=1S/C20H15F3N6O/c21-20(22,23)17-2-3-26-9-13(17)10-29-18-7-15(28-11-16(18)19(25)30)6-14-5-12(8-24)1-4-27-14/h1-5,7,9,11H,6,10H2,(H2,25,30)(H,28,29)
InChIKeyUJHSDHDEDFLXPL-UHFFFAOYSA-N
XLogP3.06
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(4-cyano-2-pyridinyl)methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide with MolForge

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Related Compounds

3-[[5-carbamoyl-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]-2-pyridinyl]methyl]benzoic acid
CID 58440146
5-(1-aminoethenyl)-2-chloro-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-4-amine
CID 162559576
(2Z,4E)-5-[(4-cyano-2-pyridinyl)amino]-2-ethenyl-3-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]hexa-2,4-dienamide
CID 143999760
4-[[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]methyl]pyridine-3-carboxamide
CID 123575616
N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
CID 122153691
4-[[3-(dimethylamino)phenyl]methylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide
CID 58440196
4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide
CID 133469822
4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133467997
4-(pyridin-4-ylmethylamino)-3-(trifluoromethyl)benzonitrile
CID 43687047
4-[1-(3,5-difluorophenyl)ethylamino]-6-(pyrazin-2-ylmethyl)pyridine-3-carboxamide
CID 58440120
2-[[2-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67518329
4-(oxan-4-ylmethylamino)-6-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
CID 164610686

Frequently Asked Questions

What is the IUPAC name of 6-[(4-cyano-2-pyridinyl)methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 6-[(4-cyano-2-pyridinyl)methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide (CID 58440227) is 6-[(4-cyano-2-pyridinyl)methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-cyano-2-pyridinyl)methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-[(4-cyano-2-pyridinyl)methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide is N#Cc1ccnc(Cc2cc(NCc3cnccc3C(F)(F)F)c(C(N)=O)cn2)c1.
What is the InChIKey of 6-[(4-cyano-2-pyridinyl)methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide?
The InChIKey is UJHSDHDEDFLXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N6O/c21-20(22,23)17-2-3-26-9-13(17)10-29-18-7-15(28-11-16(18)19(25)30)6-14-5-12(8-24)1-4-27-14/h1-5,7,9,11H,6,10H2,(H2,25,30)(H,28,29).
What are the key properties of 6-[(4-cyano-2-pyridinyl)methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide?
6-[(4-cyano-2-pyridinyl)methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide has a molecular weight of 412.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-cyano-2-pyridinyl)methyl]-4-[[4-(trifluoromethyl)-3-pyridinyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 58440227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).