1-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]indole-2-carboxamide

C18H16F3N3O2 — CID 55911461

IUPAC1-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]indole-2-carboxamide
SMILESCn1c(C(=O)NCc2ccnc(OCC(F)(F)F)c2)cc2ccccc21
InChIInChI=1S/C18H16F3N3O2/c1-24-14-5-3-2-4-13(14)9-15(24)17(25)23-10-12-6-7-22-16(8-12)26-11-18(19,20)21/h2-9H,10-11H2,1H3,(H,23,25)
InChIKeyAIEYGMJYUGSOCI-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.44
Rot. Bonds5

About 1-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]indole-2-carboxamide

1-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]indole-2-carboxamide (PubChem CID 55911461) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 1-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]indole-2-carboxamide
PubChem CID55911461
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name1-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]indole-2-carboxamide
SMILESCn1c(C(=O)NCc2ccnc(OCC(F)(F)F)c2)cc2ccccc21
InChIInChI=1S/C18H16F3N3O2/c1-24-14-5-3-2-4-13(14)9-15(24)17(25)23-10-12-6-7-22-16(8-12)26-11-18(19,20)21/h2-9H,10-11H2,1H3,(H,23,25)
InChIKeyAIEYGMJYUGSOCI-UHFFFAOYSA-N
XLogP3.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]carbamate
CID 171787356
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
CID 39503685
2-(3-bromo-2-methylindol-1-yl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 55858679
methyl 2-[2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methylcarbamoyl]phenyl]sulfanylpropanoate
CID 55962327
2-(furan-2-yl)-5-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
CID 39502796
1-(tert-butylsulfanylmethyl)-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]urea
CID 155043342
5-amino-2-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]benzamide;dihydrochloride
CID 120641796
2-(5-fluoro-2-methylphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787141
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylindole-2-carboxamide
CID 55876041
1-amino-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119847030
3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 178036152
2-(aminomethyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119847075

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]indole-2-carboxamide?
The IUPAC name of 1-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]indole-2-carboxamide (CID 55911461) is 1-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]indole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]indole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]indole-2-carboxamide is Cn1c(C(=O)NCc2ccnc(OCC(F)(F)F)c2)cc2ccccc21.
What is the InChIKey of 1-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]indole-2-carboxamide?
The InChIKey is AIEYGMJYUGSOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-24-14-5-3-2-4-13(14)9-15(24)17(25)23-10-12-6-7-22-16(8-12)26-11-18(19,20)21/h2-9H,10-11H2,1H3,(H,23,25).
What are the key properties of 1-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]indole-2-carboxamide?
1-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]indole-2-carboxamide has a molecular weight of 363.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]indole-2-carboxamide is sourced from PubChem (CID 55911461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).