5-chloro-N-methyl-6-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

C18H18ClF3N2O2 — CID 55854345

IUPAC5-chloro-N-methyl-6-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCC(C)Oc1ncc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C18H18ClF3N2O2/c1-11(2)26-16-15(19)8-13(9-23-16)17(25)24(3)10-12-4-6-14(7-5-12)18(20,21)22/h4-9,11H,10H2,1-3H3
InChIKeyZYLUIOWHDGNHTA-UHFFFAOYSA-N
MW386.80 g/mol
LogP4.81
Rot. Bonds5

About 5-chloro-N-methyl-6-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

5-chloro-N-methyl-6-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 55854345) has the molecular formula C18H18ClF3N2O2 and a molecular weight of 386.80 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-6-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID55854345
Molecular FormulaC18H18ClF3N2O2
Molecular Weight386.80 g/mol
Exact Mass386.10
IUPAC Name5-chloro-N-methyl-6-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCC(C)Oc1ncc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1Cl
InChIInChI=1S/C18H18ClF3N2O2/c1-11(2)26-16-15(19)8-13(9-23-16)17(25)24(3)10-12-4-6-14(7-5-12)18(20,21)22/h4-9,11H,10H2,1-3H3
InChIKeyZYLUIOWHDGNHTA-UHFFFAOYSA-N
XLogP4.81
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.80
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 134031313
5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 43564503
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631233
5-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 47039361
2-amino-1-(5-chloro-6-propan-2-yloxy-3-pyridinyl)ethanone;hydrochloride
CID 141116458
5-chloro-2-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 171547604
5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55739082
5-chloro-N-methyl-6-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62169928
N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 26619521
(2S,3S)-2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 61259824
3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 59836602
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 99955818

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-methyl-6-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 55854345) is 5-chloro-N-methyl-6-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-6-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-6-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is CC(C)Oc1ncc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1Cl.
What is the InChIKey of 5-chloro-N-methyl-6-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is ZYLUIOWHDGNHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N2O2/c1-11(2)26-16-15(19)8-13(9-23-16)17(25)24(3)10-12-4-6-14(7-5-12)18(20,21)22/h4-9,11H,10H2,1-3H3.
What are the key properties of 5-chloro-N-methyl-6-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
5-chloro-N-methyl-6-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 386.80 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-6-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 55854345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).