N-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

C20H23F3N4O — CID 56509980

IUPACN-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCN(CCN1CCCC1)C(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N4O/c1-26(12-13-27-10-2-3-11-27)19(28)17-8-5-9-24-18(17)25-16-7-4-6-15(14-16)20(21,22)23/h4-9,14H,2-3,10-13H2,1H3,(H,24,25)
InChIKeyBMWXYKHOKQHWRX-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.01
Rot. Bonds6

About N-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide

N-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (PubChem CID 56509980) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is N-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
PubChem CID56509980
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC NameN-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
SMILESCN(CCN1CCCC1)C(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N4O/c1-26(12-13-27-10-2-3-11-27)19(28)17-8-5-9-24-18(17)25-16-7-4-6-15(14-16)20(21,22)23/h4-9,14H,2-3,10-13H2,1H3,(H,24,25)
InChIKeyBMWXYKHOKQHWRX-UHFFFAOYSA-N
XLogP4.01
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 78796215
N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methyl-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 55958188
[4-(methylaminomethyl)piperidin-1-yl]-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone;hydrochloride
CID 119543139
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 55932397
(4-ethoxypiperidin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 55976721
2-dimethoxyphosphoryl-1-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]ethanone
CID 89290625
[2-(ethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2365493
(3-methylpiperazin-1-yl)-[2-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 119576762
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2342660
2,2-dimethylpropanoyloxymethyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 12673423
3-dimethylphosphorylpropyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 12669147
N-(1-methylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)-4-[[4-[3-(trifluoromethyl)anilino]pyrimidin-2-yl]amino]benzamide
CID 25061536

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide (CID 56509980) is N-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is CN(CCN1CCCC1)C(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
The InChIKey is BMWXYKHOKQHWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c1-26(12-13-27-10-2-3-11-27)19(28)17-8-5-9-24-18(17)25-16-7-4-6-15(14-16)20(21,22)23/h4-9,14H,2-3,10-13H2,1H3,(H,24,25).
What are the key properties of N-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide?
N-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyrrolidin-1-ylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 56509980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).