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

C20H15ClF3N3O2 — CID 58614812

IUPACN-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1
InChIInChI=1S/C20H15ClF3N3O2/c1-11-14(5-8-18(26-11)20(22,23)24)19(28)27-12-3-6-16(21)15(9-12)17-7-4-13(29-2)10-25-17/h3-10H,1-2H3,(H,27,28)
InChIKeyAJSNCXURJJFRPC-UHFFFAOYSA-N
MW421.81 g/mol
LogP5.39
Rot. Bonds4

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

N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 58614812) has the molecular formula C20H15ClF3N3O2 and a molecular weight of 421.81 g/mol. Its IUPAC name is N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID58614812
Molecular FormulaC20H15ClF3N3O2
Molecular Weight421.81 g/mol
Exact Mass421.08
IUPAC NameN-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1
InChIInChI=1S/C20H15ClF3N3O2/c1-11-14(5-8-18(26-11)20(22,23)24)19(28)27-12-3-6-16(21)15(9-12)17-7-4-13(29-2)10-25-17/h3-10H,1-2H3,(H,27,28)
InChIKeyAJSNCXURJJFRPC-UHFFFAOYSA-N
XLogP5.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.81
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 58614812) is N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is COc1ccc(-c2cc(NC(=O)c3ccc(C(F)(F)F)nc3C)ccc2Cl)nc1.
What is the InChIKey of N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is AJSNCXURJJFRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O2/c1-11-14(5-8-18(26-11)20(22,23)24)19(28)27-12-3-6-16(21)15(9-12)17-7-4-13(29-2)10-25-17/h3-10H,1-2H3,(H,27,28).
What are the key properties of N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 421.81 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-methoxy-2-pyridinyl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58614812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).