4-[5-chloro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide

C19H21ClN2O5S — CID 155557620

IUPAC4-[5-chloro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide
SMILESCOc1cc(C(=O)NS(C)(=O)=O)ccc1-c1cnc(OCC2(C)CC2)c(Cl)c1
InChIInChI=1S/C19H21ClN2O5S/c1-19(6-7-19)11-27-18-15(20)8-13(10-21-18)14-5-4-12(9-16(14)26-2)17(23)22-28(3,24)25/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,23)
InChIKeyLYZQTGXFFVJDIS-UHFFFAOYSA-N
MW424.91 g/mol
LogP3.28
Rot. Bonds7

About 4-[5-chloro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide

4-[5-chloro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide (PubChem CID 155557620) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is 4-[5-chloro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-[5-chloro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide
PubChem CID155557620
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC Name4-[5-chloro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide
SMILESCOc1cc(C(=O)NS(C)(=O)=O)ccc1-c1cnc(OCC2(C)CC2)c(Cl)c1
InChIInChI=1S/C19H21ClN2O5S/c1-19(6-7-19)11-27-18-15(20)8-13(10-21-18)14-5-4-12(9-16(14)26-2)17(23)22-28(3,24)25/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,23)
InChIKeyLYZQTGXFFVJDIS-UHFFFAOYSA-N
XLogP3.28
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide?
The IUPAC name of 4-[5-chloro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide (CID 155557620) is 4-[5-chloro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-[5-chloro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide?
The canonical SMILES for 4-[5-chloro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide is COc1cc(C(=O)NS(C)(=O)=O)ccc1-c1cnc(OCC2(C)CC2)c(Cl)c1.
What is the InChIKey of 4-[5-chloro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide?
The InChIKey is LYZQTGXFFVJDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c1-19(6-7-19)11-27-18-15(20)8-13(10-21-18)14-5-4-12(9-16(14)26-2)17(23)22-28(3,24)25/h4-5,8-10H,6-7,11H2,1-3H3,(H,22,23).
What are the key properties of 4-[5-chloro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide?
4-[5-chloro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide has a molecular weight of 424.91 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-6-[(1-methylcyclopropyl)methoxy]-3-pyridinyl]-3-methoxy-N-methylsulfonylbenzamide is sourced from PubChem (CID 155557620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).