N-[2-(4-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide

C24H19N3O2S — CID 42648368

IUPACN-[2-(4-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide
SMILESCOCc1cc(C)nc2sc(-c3ccc(C#N)cc3)c(NC(=O)c3ccccc3)c12
InChIInChI=1S/C24H19N3O2S/c1-15-12-19(14-29-2)20-21(27-23(28)18-6-4-3-5-7-18)22(30-24(20)26-15)17-10-8-16(13-25)9-11-17/h3-12H,14H2,1-2H3,(H,27,28)
InChIKeyXGHNOXGBBNUYIP-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.54
Rot. Bonds5

About N-[2-(4-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide

N-[2-(4-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide (PubChem CID 42648368) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[2-(4-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide
PubChem CID42648368
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC NameN-[2-(4-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide
SMILESCOCc1cc(C)nc2sc(-c3ccc(C#N)cc3)c(NC(=O)c3ccccc3)c12
InChIInChI=1S/C24H19N3O2S/c1-15-12-19(14-29-2)20-21(27-23(28)18-6-4-3-5-7-18)22(30-24(20)26-15)17-10-8-16(13-25)9-11-17/h3-12H,14H2,1-2H3,(H,27,28)
InChIKeyXGHNOXGBBNUYIP-UHFFFAOYSA-N
XLogP5.54
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide?
The IUPAC name of N-[2-(4-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide (CID 42648368) is N-[2-(4-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide.
What is the SMILES notation for N-[2-(4-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide?
The canonical SMILES for N-[2-(4-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide is COCc1cc(C)nc2sc(-c3ccc(C#N)cc3)c(NC(=O)c3ccccc3)c12.
What is the InChIKey of N-[2-(4-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide?
The InChIKey is XGHNOXGBBNUYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c1-15-12-19(14-29-2)20-21(27-23(28)18-6-4-3-5-7-18)22(30-24(20)26-15)17-10-8-16(13-25)9-11-17/h3-12H,14H2,1-2H3,(H,27,28).
What are the key properties of N-[2-(4-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide?
N-[2-(4-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide has a molecular weight of 413.50 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanophenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl]benzamide is sourced from PubChem (CID 42648368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).