N-[(3-chlorophenyl)methyl]-N-ethyl-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide

C17H16ClF3N2O2 — CID 2726987

IUPACN-[(3-chlorophenyl)methyl]-N-ethyl-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)c1cnc(OC)cc1C(F)(F)F
InChIInChI=1S/C17H16ClF3N2O2/c1-3-23(10-11-5-4-6-12(18)7-11)16(24)13-9-22-15(25-2)8-14(13)17(19,20)21/h4-9H,3,10H2,1-2H3
InChIKeyJTFSXMGRFBUUHK-UHFFFAOYSA-N
MW372.77 g/mol
LogP4.42
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-N-ethyl-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide

N-[(3-chlorophenyl)methyl]-N-ethyl-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2726987) has the molecular formula C17H16ClF3N2O2 and a molecular weight of 372.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-ethyl-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-ethyl-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2726987
Molecular FormulaC17H16ClF3N2O2
Molecular Weight372.77 g/mol
Exact Mass372.09
IUPAC NameN-[(3-chlorophenyl)methyl]-N-ethyl-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCN(Cc1cccc(Cl)c1)C(=O)c1cnc(OC)cc1C(F)(F)F
InChIInChI=1S/C17H16ClF3N2O2/c1-3-23(10-11-5-4-6-12(18)7-11)16(24)13-9-22-15(25-2)8-14(13)17(19,20)21/h4-9H,3,10H2,1-2H3
InChIKeyJTFSXMGRFBUUHK-UHFFFAOYSA-N
XLogP4.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethyl-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethyl-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2726987) is N-[(3-chlorophenyl)methyl]-N-ethyl-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-ethyl-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-ethyl-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide is CCN(Cc1cccc(Cl)c1)C(=O)c1cnc(OC)cc1C(F)(F)F.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-ethyl-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JTFSXMGRFBUUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2/c1-3-23(10-11-5-4-6-12(18)7-11)16(24)13-9-22-15(25-2)8-14(13)17(19,20)21/h4-9H,3,10H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-ethyl-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-N-ethyl-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 372.77 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N-ethyl-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2726987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).