2-(3-cyano-2-methylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide

C18H16N4O — CID 648082

IUPAC2-(3-cyano-2-methylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1c(C#N)c2ccccc2n1CC(=O)NCc1cccnc1
InChIInChI=1S/C18H16N4O/c1-13-16(9-19)15-6-2-3-7-17(15)22(13)12-18(23)21-11-14-5-4-8-20-10-14/h2-8,10H,11-12H2,1H3,(H,21,23)
InChIKeyYVHYQNLIKYKZLY-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.53
Rot. Bonds4

About 2-(3-cyano-2-methylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(3-cyano-2-methylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 648082) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(3-cyano-2-methylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-2-methylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID648082
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name2-(3-cyano-2-methylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1c(C#N)c2ccccc2n1CC(=O)NCc1cccnc1
InChIInChI=1S/C18H16N4O/c1-13-16(9-19)15-6-2-3-7-17(15)22(13)12-18(23)21-11-14-5-4-8-20-10-14/h2-8,10H,11-12H2,1H3,(H,21,23)
InChIKeyYVHYQNLIKYKZLY-UHFFFAOYSA-N
XLogP2.53
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-2-methylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-cyano-2-methylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 648082) is 2-(3-cyano-2-methylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-cyano-2-methylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-cyano-2-methylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide is Cc1c(C#N)c2ccccc2n1CC(=O)NCc1cccnc1.
What is the InChIKey of 2-(3-cyano-2-methylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is YVHYQNLIKYKZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13-16(9-19)15-6-2-3-7-17(15)22(13)12-18(23)21-11-14-5-4-8-20-10-14/h2-8,10H,11-12H2,1H3,(H,21,23).
What are the key properties of 2-(3-cyano-2-methylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(3-cyano-2-methylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 304.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-2-methylindol-1-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 648082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).