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

C21H17ClFN3O4 — CID 73331686

IUPACN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccn1
InChIInChI=1S/C21H17ClFN3O4/c1-29-18-6-5-16(26-20(18)12-3-4-15(23)14(22)9-12)17(27)11-25-21(28)13-7-8-24-19(10-13)30-2/h3-10H,11H2,1-2H3,(H,25,28)
InChIKeyMJZFNQLRHGOZAP-UHFFFAOYSA-N
MW429.84 g/mol
LogP3.57
Rot. Bonds7

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

N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methoxypyridine-4-carboxamide (PubChem CID 73331686) has the molecular formula C21H17ClFN3O4 and a molecular weight of 429.84 g/mol. Its IUPAC name is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methoxypyridine-4-carboxamide
PubChem CID73331686
Molecular FormulaC21H17ClFN3O4
Molecular Weight429.84 g/mol
Exact Mass429.09
IUPAC NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccn1
InChIInChI=1S/C21H17ClFN3O4/c1-29-18-6-5-16(26-20(18)12-3-4-15(23)14(22)9-12)17(27)11-25-21(28)13-7-8-24-19(10-13)30-2/h3-10H,11H2,1-2H3,(H,25,28)
InChIKeyMJZFNQLRHGOZAP-UHFFFAOYSA-N
XLogP3.57
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.84
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-methoxypyridine-4-carboxamide?
The IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methoxypyridine-4-carboxamide (CID 73331686) is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methoxypyridine-4-carboxamide is COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccn1.
What is the InChIKey of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methoxypyridine-4-carboxamide?
The InChIKey is MJZFNQLRHGOZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O4/c1-29-18-6-5-16(26-20(18)12-3-4-15(23)14(22)9-12)17(27)11-25-21(28)13-7-8-24-19(10-13)30-2/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-methoxypyridine-4-carboxamide?
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-2-methoxypyridine-4-carboxamide has a molecular weight of 429.84 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-methoxypyridine-4-carboxamide is sourced from PubChem (CID 73331686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).