N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-(2-oxopyrrolidin-1-yl)benzamide

C26H25ClFN3O5 — CID 90062279

IUPACN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1cc(C(=O)NCC(O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1N1CCCC1=O
InChIInChI=1S/C26H25ClFN3O5/c1-35-22-10-8-19(30-25(22)15-5-7-18(28)17(27)12-15)21(32)14-29-26(34)16-6-9-20(23(13-16)36-2)31-11-3-4-24(31)33/h5-10,12-13,21,32H,3-4,11,14H2,1-2H3,(H,29,34)
InChIKeyUBAQWZCQJDRABR-UHFFFAOYSA-N
MW513.95 g/mol
LogP4.15
Rot. Bonds8

About N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 90062279) has the molecular formula C26H25ClFN3O5 and a molecular weight of 513.95 g/mol. Its IUPAC name is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID90062279
Molecular FormulaC26H25ClFN3O5
Molecular Weight513.95 g/mol
Exact Mass513.15
IUPAC NameN-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1cc(C(=O)NCC(O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1N1CCCC1=O
InChIInChI=1S/C26H25ClFN3O5/c1-35-22-10-8-19(30-25(22)15-5-7-18(28)17(27)12-15)21(32)14-29-26(34)16-6-9-20(23(13-16)36-2)31-11-3-4-24(31)33/h5-10,12-13,21,32H,3-4,11,14H2,1-2H3,(H,29,34)
InChIKeyUBAQWZCQJDRABR-UHFFFAOYSA-N
XLogP4.15
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.95
LogP ≤ 54.15
H-Bond Donors ≤ 52
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-hydroxyethyl]-3-methoxy-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-(2-oxopyrrolidin-1-yl)benzamide (CID 90062279) is N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-(2-oxopyrrolidin-1-yl)benzamide is COc1cc(C(=O)NCC(O)c2ccc(OC)c(-c3ccc(F)c(Cl)c3)n2)ccc1N1CCCC1=O.
What is the InChIKey of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is UBAQWZCQJDRABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN3O5/c1-35-22-10-8-19(30-25(22)15-5-7-18(28)17(27)12-15)21(32)14-29-26(34)16-6-9-20(23(13-16)36-2)31-11-3-4-24(31)33/h5-10,12-13,21,32H,3-4,11,14H2,1-2H3,(H,29,34).
What are the key properties of N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-hydroxyethyl]-3-methoxy-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 513.95 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 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-hydroxyethyl]-3-methoxy-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 90062279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).