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

C15H12ClF3N2O2 — CID 2726984

IUPACN-[(3-chlorophenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(C(F)(F)F)c(C(=O)NCc2cccc(Cl)c2)cn1
InChIInChI=1S/C15H12ClF3N2O2/c1-23-13-6-12(15(17,18)19)11(8-20-13)14(22)21-7-9-3-2-4-10(16)5-9/h2-6,8H,7H2,1H3,(H,21,22)
InChIKeyFAXYSSFCIQNMRY-UHFFFAOYSA-N
MW344.72 g/mol
LogP3.69
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2726984) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2726984
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC NameN-[(3-chlorophenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1cc(C(F)(F)F)c(C(=O)NCc2cccc(Cl)c2)cn1
InChIInChI=1S/C15H12ClF3N2O2/c1-23-13-6-12(15(17,18)19)11(8-20-13)14(22)21-7-9-3-2-4-10(16)5-9/h2-6,8H,7H2,1H3,(H,21,22)
InChIKeyFAXYSSFCIQNMRY-UHFFFAOYSA-N
XLogP3.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2726984) is N-[(3-chlorophenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide is COc1cc(C(F)(F)F)c(C(=O)NCc2cccc(Cl)c2)cn1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is FAXYSSFCIQNMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c1-23-13-6-12(15(17,18)19)11(8-20-13)14(22)21-7-9-3-2-4-10(16)5-9/h2-6,8H,7H2,1H3,(H,21,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 344.72 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2726984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).