N-[(5-chlorothiophen-2-yl)methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide

C18H12ClN3O2S — CID 22612427

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide
SMILESN#Cc1cccc(Oc2ncccc2C(=O)NCc2ccc(Cl)s2)c1
InChIInChI=1S/C18H12ClN3O2S/c19-16-7-6-14(25-16)11-22-17(23)15-5-2-8-21-18(15)24-13-4-1-3-12(9-13)10-20/h1-9H,11H2,(H,22,23)
InChIKeyZCBQXKPIBUSXKP-UHFFFAOYSA-N
MW369.83 g/mol
LogP4.39
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide (PubChem CID 22612427) has the molecular formula C18H12ClN3O2S and a molecular weight of 369.83 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide
PubChem CID22612427
Molecular FormulaC18H12ClN3O2S
Molecular Weight369.83 g/mol
Exact Mass369.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide
SMILESN#Cc1cccc(Oc2ncccc2C(=O)NCc2ccc(Cl)s2)c1
InChIInChI=1S/C18H12ClN3O2S/c19-16-7-6-14(25-16)11-22-17(23)15-5-2-8-21-18(15)24-13-4-1-3-12(9-13)10-20/h1-9H,11H2,(H,22,23)
InChIKeyZCBQXKPIBUSXKP-UHFFFAOYSA-N
XLogP4.39
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide (CID 22612427) is N-[(5-chlorothiophen-2-yl)methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide is N#Cc1cccc(Oc2ncccc2C(=O)NCc2ccc(Cl)s2)c1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide?
The InChIKey is ZCBQXKPIBUSXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2S/c19-16-7-6-14(25-16)11-22-17(23)15-5-2-8-21-18(15)24-13-4-1-3-12(9-13)10-20/h1-9H,11H2,(H,22,23).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide has a molecular weight of 369.83 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 22612427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).