N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylpyridine-4-carboxamide

C21H17ClFN3O3 — CID 73331687

IUPACN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylpyridine-4-carboxamide
SMILESCOc1ccc(C(=O)CNC(=O)c2ccnc(C)c2)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C21H17ClFN3O3/c1-12-9-14(7-8-24-12)21(28)25-11-18(27)17-5-6-19(29-2)20(26-17)13-3-4-16(23)15(22)10-13/h3-10H,11H2,1-2H3,(H,25,28)
InChIKeyXZCDJZPWISPJBY-UHFFFAOYSA-N
MW413.84 g/mol
LogP3.87
Rot. Bonds6

About N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylpyridine-4-carboxamide

N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylpyridine-4-carboxamide (PubChem CID 73331687) has the molecular formula C21H17ClFN3O3 and a molecular weight of 413.84 g/mol. Its IUPAC name is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylpyridine-4-carboxamide
PubChem CID73331687
Molecular FormulaC21H17ClFN3O3
Molecular Weight413.84 g/mol
Exact Mass413.09
IUPAC NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylpyridine-4-carboxamide
SMILESCOc1ccc(C(=O)CNC(=O)c2ccnc(C)c2)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C21H17ClFN3O3/c1-12-9-14(7-8-24-12)21(28)25-11-18(27)17-5-6-19(29-2)20(26-17)13-3-4-16(23)15(22)10-13/h3-10H,11H2,1-2H3,(H,25,28)
InChIKeyXZCDJZPWISPJBY-UHFFFAOYSA-N
XLogP3.87
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.84
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylpyridine-4-carboxamide (CID 73331687) is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylpyridine-4-carboxamide is COc1ccc(C(=O)CNC(=O)c2ccnc(C)c2)nc1-c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylpyridine-4-carboxamide?
The InChIKey is XZCDJZPWISPJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O3/c1-12-9-14(7-8-24-12)21(28)25-11-18(27)17-5-6-19(29-2)20(26-17)13-3-4-16(23)15(22)10-13/h3-10H,11H2,1-2H3,(H,25,28).
What are the key properties of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylpyridine-4-carboxamide?
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylpyridine-4-carboxamide has a molecular weight of 413.84 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 73331687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).