2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide

C16H15N3O — CID 18107630

IUPAC2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1ccncc1
InChIInChI=1S/C16H15N3O/c20-16(19-10-12-5-7-17-8-6-12)9-13-11-18-15-4-2-1-3-14(13)15/h1-8,11,18H,9-10H2,(H,19,20)
InChIKeyKHAKAVTZKXRKNC-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.42
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide

2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 18107630) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID18107630
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NCc1ccncc1
InChIInChI=1S/C16H15N3O/c20-16(19-10-12-5-7-17-8-6-12)9-13-11-18-15-4-2-1-3-14(13)15/h1-8,11,18H,9-10H2,(H,19,20)
InChIKeyKHAKAVTZKXRKNC-UHFFFAOYSA-N
XLogP2.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 18107630) is 2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide is O=C(Cc1c[nH]c2ccccc12)NCc1ccncc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is KHAKAVTZKXRKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-16(19-10-12-5-7-17-8-6-12)9-13-11-18-15-4-2-1-3-14(13)15/h1-8,11,18H,9-10H2,(H,19,20).
What are the key properties of 2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 265.32 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 18107630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).