6-methyl-5-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C14H18F3N3O — CID 145083981

IUPAC6-methyl-5-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCc1nc(C(=O)NCC(F)(F)F)ccc1N1CCC(C)C1
InChIInChI=1S/C14H18F3N3O/c1-9-5-6-20(7-9)12-4-3-11(19-10(12)2)13(21)18-8-14(15,16)17/h3-4,9H,5-8H2,1-2H3,(H,18,21)
InChIKeyADRITGCIMIAJQI-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.53
Rot. Bonds3

About 6-methyl-5-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

6-methyl-5-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 145083981) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 6-methyl-5-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-5-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
PubChem CID145083981
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name6-methyl-5-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
SMILESCc1nc(C(=O)NCC(F)(F)F)ccc1N1CCC(C)C1
InChIInChI=1S/C14H18F3N3O/c1-9-5-6-20(7-9)12-4-3-11(19-10(12)2)13(21)18-8-14(15,16)17/h3-4,9H,5-8H2,1-2H3,(H,18,21)
InChIKeyADRITGCIMIAJQI-UHFFFAOYSA-N
XLogP2.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-N-(5-carbamoyl-2-pyridinyl)-5-N-(2,2,2-trifluoroethyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 140824668
5-(3-methylpyrrolidin-1-yl)-6-[2-oxo-2-(pyridin-2-ylamino)ethyl]-N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 145083938
(3R)-1-(4,7-dimethylquinazolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42368186
N-(2-hydroxyethyl)-8-methyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide
CID 145084287
5-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 176748242
8-methyl-N-propyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide
CID 145084151
acetylene;N-ethyl-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide;fluoroform
CID 145084247
tert-butyl 4-[6-(cyclopropylcarbamoyl)-2-methyl-3-pyridinyl]piperazine-1-carboxylate
CID 168957204
1-[5-fluoro-2-(3-methylpyrrolidin-1-yl)phenyl]ethanone
CID 61226990
5-N-(2,2,2-trifluoroethyl)-8-N-[4-[[(4R)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5,8-dicarboxamide
CID 155001537
8-methyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-5-carboxamide
CID 155001604
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methyl-N-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
CID 72939524

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The IUPAC name of 6-methyl-5-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 145083981) is 6-methyl-5-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-5-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-5-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is Cc1nc(C(=O)NCC(F)(F)F)ccc1N1CCC(C)C1.
What is the InChIKey of 6-methyl-5-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
The InChIKey is ADRITGCIMIAJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-9-5-6-20(7-9)12-4-3-11(19-10(12)2)13(21)18-8-14(15,16)17/h3-4,9H,5-8H2,1-2H3,(H,18,21).
What are the key properties of 6-methyl-5-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?
6-methyl-5-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(3-methylpyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 145083981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).