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

C20H14ClF2N3O3 — CID 73331543

IUPACN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-5-fluoropyridine-3-carboxamide
SMILESCOc1ccc(C(=O)CNC(=O)c2cncc(F)c2)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C20H14ClF2N3O3/c1-29-18-5-4-16(26-19(18)11-2-3-15(23)14(21)7-11)17(27)10-25-20(28)12-6-13(22)9-24-8-12/h2-9H,10H2,1H3,(H,25,28)
InChIKeyMBHZPKJMBWHSGD-UHFFFAOYSA-N
MW417.80 g/mol
LogP3.70
Rot. Bonds6

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

N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-5-fluoropyridine-3-carboxamide (PubChem CID 73331543) has the molecular formula C20H14ClF2N3O3 and a molecular weight of 417.80 g/mol. Its IUPAC name is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-5-fluoropyridine-3-carboxamide
PubChem CID73331543
Molecular FormulaC20H14ClF2N3O3
Molecular Weight417.80 g/mol
Exact Mass417.07
IUPAC NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-5-fluoropyridine-3-carboxamide
SMILESCOc1ccc(C(=O)CNC(=O)c2cncc(F)c2)nc1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C20H14ClF2N3O3/c1-29-18-5-4-16(26-19(18)11-2-3-15(23)14(21)7-11)17(27)10-25-20(28)12-6-13(22)9-24-8-12/h2-9H,10H2,1H3,(H,25,28)
InChIKeyMBHZPKJMBWHSGD-UHFFFAOYSA-N
XLogP3.70
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.80
LogP ≤ 53.70
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]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-5-fluoropyridine-3-carboxamide (CID 73331543) is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-5-fluoropyridine-3-carboxamide is COc1ccc(C(=O)CNC(=O)c2cncc(F)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]-5-fluoropyridine-3-carboxamide?
The InChIKey is MBHZPKJMBWHSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N3O3/c1-29-18-5-4-16(26-19(18)11-2-3-15(23)14(21)7-11)17(27)10-25-20(28)12-6-13(22)9-24-8-12/h2-9H,10H2,1H3,(H,25,28).
What are the key properties of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-5-fluoropyridine-3-carboxamide?
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 417.80 g/mol, XLogP of 3.70, 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]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 73331543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).