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

C16H14ClF3N2O2 — CID 2726986

IUPACN-[(3-chlorophenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(C(F)(F)F)c(C(=O)N(C)Cc2cccc(Cl)c2)cn1
InChIInChI=1S/C16H14ClF3N2O2/c1-22(9-10-4-3-5-11(17)6-10)15(23)12-8-21-14(24-2)7-13(12)16(18,19)20/h3-8H,9H2,1-2H3
InChIKeyAGOFTEZPKPIJNZ-UHFFFAOYSA-N
MW358.75 g/mol
LogP4.03
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2726986) has the molecular formula C16H14ClF3N2O2 and a molecular weight of 358.75 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2726986
Molecular FormulaC16H14ClF3N2O2
Molecular Weight358.75 g/mol
Exact Mass358.07
IUPAC NameN-[(3-chlorophenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(C(F)(F)F)c(C(=O)N(C)Cc2cccc(Cl)c2)cn1
InChIInChI=1S/C16H14ClF3N2O2/c1-22(9-10-4-3-5-11(17)6-10)15(23)12-8-21-14(24-2)7-13(12)16(18,19)20/h3-8H,9H2,1-2H3
InChIKeyAGOFTEZPKPIJNZ-UHFFFAOYSA-N
XLogP4.03
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 54.03
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]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2726986) is N-[(3-chlorophenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is COc1cc(C(F)(F)F)c(C(=O)N(C)Cc2cccc(Cl)c2)cn1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is AGOFTEZPKPIJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O2/c1-22(9-10-4-3-5-11(17)6-10)15(23)12-8-21-14(24-2)7-13(12)16(18,19)20/h3-8H,9H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 358.75 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6-methoxy-N-methyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2726986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).