5-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C17H13ClF3N3O2 — CID 47039361

IUPAC5-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C17H13ClF3N3O2/c1-24(9-12-4-2-3-11(5-12)7-22)16(25)13-6-14(18)15(23-8-13)26-10-17(19,20)21/h2-6,8H,9-10H2,1H3
InChIKeyQRWBEERWMCNCCH-UHFFFAOYSA-N
MW383.76 g/mol
LogP3.82
Rot. Bonds5

About 5-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

5-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 47039361) has the molecular formula C17H13ClF3N3O2 and a molecular weight of 383.76 g/mol. Its IUPAC name is 5-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID47039361
Molecular FormulaC17H13ClF3N3O2
Molecular Weight383.76 g/mol
Exact Mass383.06
IUPAC Name5-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCN(Cc1cccc(C#N)c1)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C17H13ClF3N3O2/c1-24(9-12-4-2-3-11(5-12)7-22)16(25)13-6-14(18)15(23-8-13)26-10-17(19,20)21/h2-6,8H,9-10H2,1H3
InChIKeyQRWBEERWMCNCCH-UHFFFAOYSA-N
XLogP3.82
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.76
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroethyl N-[(3-cyanophenyl)methyl]-N-methylcarbamate
CID 65168992
5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55739082
N-[(3-cyanophenyl)methyl]-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63859996
N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 47161976
6-chloro-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62233483
N-[(3-cyanophenyl)methyl]-3-hydroxy-N-methylbenzamide
CID 62968287
5-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55740102
N-[(3-cyanophenyl)methyl]-N-methyl-3-sulfanylbenzamide
CID 107028981
5-chloro-N-methyl-6-propan-2-yloxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 55854345
1-[(3-cyanophenyl)methyl]-1-methyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 55629712
5-amino-2-chloro-N-[(3-cyanophenyl)methyl]-N-methylbenzamide
CID 61104833
N-methyl-N-[(3-nitrophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46481099

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 47039361) is 5-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CN(Cc1cccc(C#N)c1)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is QRWBEERWMCNCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N3O2/c1-24(9-12-4-2-3-11(5-12)7-22)16(25)13-6-14(18)15(23-8-13)26-10-17(19,20)21/h2-6,8H,9-10H2,1H3.
What are the key properties of 5-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
5-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 383.76 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-cyanophenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 47039361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).