N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C20H22F3N3O2 — CID 126786340

IUPACN-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(OCC(F)(F)F)n1
InChIInChI=1S/C20H22F3N3O2/c1-25(13-15-7-2-3-9-17(15)26-11-4-5-12-26)19(27)16-8-6-10-18(24-16)28-14-20(21,22)23/h2-3,6-10H,4-5,11-14H2,1H3
InChIKeyKJJUBAKRHJAYHD-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.90
Rot. Bonds6

About N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 126786340) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID126786340
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(OCC(F)(F)F)n1
InChIInChI=1S/C20H22F3N3O2/c1-25(13-15-7-2-3-9-17(15)26-11-4-5-12-26)19(27)16-8-6-10-18(24-16)28-14-20(21,22)23/h2-3,6-10H,4-5,11-14H2,1H3
InChIKeyKJJUBAKRHJAYHD-UHFFFAOYSA-N
XLogP3.90
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 86909479
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 75484966
N,6-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 136533224
2-methyl-2-[methyl-[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]propanoic acid
CID 120518819
1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 55696576
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1H-indazole-7-carboxamide
CID 55822528
1-(2-fluorophenyl)-N,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 134026351
2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)pyridine
CID 150915079
N,3,4-trimethyl-N-[(2-piperidin-1-ylphenyl)methyl]benzamide
CID 22109708
1-methyl-1-[(2-pyrrolidin-1-ylphenyl)methyl]-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 112835019
3,5-dichloro-4-methoxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55415889
2-(methoxymethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 48591350

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 126786340) is N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is CN(Cc1ccccc1N1CCCC1)C(=O)c1cccc(OCC(F)(F)F)n1.
What is the InChIKey of N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is KJJUBAKRHJAYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-25(13-15-7-2-3-9-17(15)26-11-4-5-12-26)19(27)16-8-6-10-18(24-16)28-14-20(21,22)23/h2-3,6-10H,4-5,11-14H2,1H3.
What are the key properties of N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 126786340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).