5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C16H21ClF3N3O2 — CID 55879759

IUPAC5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(CNC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1)CN1CCCC1
InChIInChI=1S/C16H21ClF3N3O2/c1-11(9-23-4-2-3-5-23)7-21-14(24)12-6-13(17)15(22-8-12)25-10-16(18,19)20/h6,8,11H,2-5,7,9-10H2,1H3,(H,21,24)
InChIKeyDNENPAANBGMKSS-UHFFFAOYSA-N
MW379.81 g/mol
LogP3.14
Rot. Bonds7

About 5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 55879759) has the molecular formula C16H21ClF3N3O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is 5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID55879759
Molecular FormulaC16H21ClF3N3O2
Molecular Weight379.81 g/mol
Exact Mass379.13
IUPAC Name5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCC(CNC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1)CN1CCCC1
InChIInChI=1S/C16H21ClF3N3O2/c1-11(9-23-4-2-3-5-23)7-21-14(24)12-6-13(17)15(22-8-12)25-10-16(18,19)20/h6,8,11H,2-5,7,9-10H2,1H3,(H,21,24)
InChIKeyDNENPAANBGMKSS-UHFFFAOYSA-N
XLogP3.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55740246
4-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 81295079
5-chloro-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51953201
5-chloro-N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51953202
3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 103892120
5-chloro-N-(3,5-difluorophenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55741055
1-(4-chlorophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55878361
3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 107999448
6-hydrazinyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 62990482
2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 61292554
5-chloro-N-[2-(oxolan-2-yl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51116396
3,4-dichloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110444164

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 55879759) is 5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CC(CNC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1)CN1CCCC1.
What is the InChIKey of 5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is DNENPAANBGMKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClF3N3O2/c1-11(9-23-4-2-3-5-23)7-21-14(24)12-6-13(17)15(22-8-12)25-10-16(18,19)20/h6,8,11H,2-5,7,9-10H2,1H3,(H,21,24).
What are the key properties of 5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 379.81 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 55879759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).