N-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]pyridine-3-carboxamide

C19H15N3O3S — CID 1244103

IUPACN-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cccnc3)c2C#N)cc1OC
InChIInChI=1S/C19H15N3O3S/c1-24-16-6-5-12(8-17(16)25-2)15-11-26-19(14(15)9-20)22-18(23)13-4-3-7-21-10-13/h3-8,10-11H,1-2H3,(H,22,23)
InChIKeySJMXELCYFVWOTD-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.95
Rot. Bonds5

About N-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]pyridine-3-carboxamide

N-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]pyridine-3-carboxamide (PubChem CID 1244103) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]pyridine-3-carboxamide
PubChem CID1244103
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC NameN-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cccnc3)c2C#N)cc1OC
InChIInChI=1S/C19H15N3O3S/c1-24-16-6-5-12(8-17(16)25-2)15-11-26-19(14(15)9-20)22-18(23)13-4-3-7-21-10-13/h3-8,10-11H,1-2H3,(H,22,23)
InChIKeySJMXELCYFVWOTD-UHFFFAOYSA-N
XLogP3.95
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]pyridine-3-carboxamide (CID 1244103) is N-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]pyridine-3-carboxamide is COc1ccc(-c2csc(NC(=O)c3cccnc3)c2C#N)cc1OC.
What is the InChIKey of N-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]pyridine-3-carboxamide?
The InChIKey is SJMXELCYFVWOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-24-16-6-5-12(8-17(16)25-2)15-11-26-19(14(15)9-20)22-18(23)13-4-3-7-21-10-13/h3-8,10-11H,1-2H3,(H,22,23).
What are the key properties of N-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]pyridine-3-carboxamide?
N-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]pyridine-3-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(3,4-dimethoxyphenyl)thiophen-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 1244103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).