N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-1-(phenylmethoxymethyl)-5-(trifluoromethyl)indole-2-carboxamide

C25H20F6N4O2 — CID 138606825

IUPACN-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-1-(phenylmethoxymethyl)-5-(trifluoromethyl)indole-2-carboxamide
SMILESCNc1ncc(C(F)(F)F)cc1NC(=O)c1cc2cc(C(F)(F)F)ccc2n1COCc1ccccc1
InChIInChI=1S/C25H20F6N4O2/c1-32-22-19(11-18(12-33-22)25(29,30)31)34-23(36)21-10-16-9-17(24(26,27)28)7-8-20(16)35(21)14-37-13-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,32,33)(H,34,36)
InChIKeyADMQYOVEJFNFFO-UHFFFAOYSA-N
MW522.45 g/mol
LogP6.54
Rot. Bonds7

About N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-1-(phenylmethoxymethyl)-5-(trifluoromethyl)indole-2-carboxamide

N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-1-(phenylmethoxymethyl)-5-(trifluoromethyl)indole-2-carboxamide (PubChem CID 138606825) has the molecular formula C25H20F6N4O2 and a molecular weight of 522.45 g/mol. Its IUPAC name is N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-1-(phenylmethoxymethyl)-5-(trifluoromethyl)indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-1-(phenylmethoxymethyl)-5-(trifluoromethyl)indole-2-carboxamide
PubChem CID138606825
Molecular FormulaC25H20F6N4O2
Molecular Weight522.45 g/mol
Exact Mass522.15
IUPAC NameN-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-1-(phenylmethoxymethyl)-5-(trifluoromethyl)indole-2-carboxamide
SMILESCNc1ncc(C(F)(F)F)cc1NC(=O)c1cc2cc(C(F)(F)F)ccc2n1COCc1ccccc1
InChIInChI=1S/C25H20F6N4O2/c1-32-22-19(11-18(12-33-22)25(29,30)31)34-23(36)21-10-16-9-17(24(26,27)28)7-8-20(16)35(21)14-37-13-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,32,33)(H,34,36)
InChIKeyADMQYOVEJFNFFO-UHFFFAOYSA-N
XLogP6.54
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.45
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-benzyl-N-[4-(trifluoromethyl)phenyl]indole-2-carboxamide
CID 42808752
N-[2-(methylsulfanylamino)-5-(trifluoromethyl)-3-pyridinyl]furan-2-carboxamide
CID 10267859
3-benzyl-N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1H-imidazole-4-carboxamide
CID 112523286
3-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 118148696
1-ethylsulfanyl-N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]isoquinoline-6-carboxamide
CID 135262487
3-chloro-N'-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]benzohydrazide
CID 137476979
N-[6-(azetidin-1-yl)-3-pyridinyl]-1-benzyl-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide
CID 66907447
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1,3-diphenylpyrazole-5-carboxamide
CID 16549700
N-(2-phenylmethoxyphenyl)-4-(trifluoromethyl)benzamide
CID 141040203
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylmethoxybenzamide
CID 2288753
dibenzyl 5-[diethoxyphosphoryl(difluoro)methyl]indole-1,2-dicarboxylate
CID 155701388
4-phenylmethoxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2066084

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-1-(phenylmethoxymethyl)-5-(trifluoromethyl)indole-2-carboxamide?
The IUPAC name of N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-1-(phenylmethoxymethyl)-5-(trifluoromethyl)indole-2-carboxamide (CID 138606825) is N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-1-(phenylmethoxymethyl)-5-(trifluoromethyl)indole-2-carboxamide.
What is the SMILES notation for N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-1-(phenylmethoxymethyl)-5-(trifluoromethyl)indole-2-carboxamide?
The canonical SMILES for N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-1-(phenylmethoxymethyl)-5-(trifluoromethyl)indole-2-carboxamide is CNc1ncc(C(F)(F)F)cc1NC(=O)c1cc2cc(C(F)(F)F)ccc2n1COCc1ccccc1.
What is the InChIKey of N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-1-(phenylmethoxymethyl)-5-(trifluoromethyl)indole-2-carboxamide?
The InChIKey is ADMQYOVEJFNFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F6N4O2/c1-32-22-19(11-18(12-33-22)25(29,30)31)34-23(36)21-10-16-9-17(24(26,27)28)7-8-20(16)35(21)14-37-13-15-5-3-2-4-6-15/h2-12H,13-14H2,1H3,(H,32,33)(H,34,36).
What are the key properties of N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-1-(phenylmethoxymethyl)-5-(trifluoromethyl)indole-2-carboxamide?
N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-1-(phenylmethoxymethyl)-5-(trifluoromethyl)indole-2-carboxamide has a molecular weight of 522.45 g/mol, XLogP of 6.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-5-(trifluoromethyl)-3-pyridinyl]-1-(phenylmethoxymethyl)-5-(trifluoromethyl)indole-2-carboxamide is sourced from PubChem (CID 138606825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).