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

C16H17N3O — CID 80573900

IUPAC2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CC1CNc2ccccc21)NCc1ccncc1
InChIInChI=1S/C16H17N3O/c20-16(19-10-12-5-7-17-8-6-12)9-13-11-18-15-4-2-1-3-14(13)15/h1-8,13,18H,9-11H2,(H,19,20)
InChIKeyYJBHCOSDXUFEOY-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.30
Rot. Bonds4

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

2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 80573900) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID80573900
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CC1CNc2ccccc21)NCc1ccncc1
InChIInChI=1S/C16H17N3O/c20-16(19-10-12-5-7-17-8-6-12)9-13-11-18-15-4-2-1-3-14(13)15/h1-8,13,18H,9-11H2,(H,19,20)
InChIKeyYJBHCOSDXUFEOY-UHFFFAOYSA-N
XLogP2.30
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 80572253
2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332228
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80571757
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566085
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
CID 80573099
2-(2,3-dihydro-1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 80573115
N-(cyclopropylmethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573936
2-(2,3-dihydro-1H-indol-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106396930
2-(2,3-dihydro-1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 80571900
N-(cyanomethyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 80573201
N-(2-chloroprop-2-enyl)-2-(2,3-dihydro-1H-indol-3-yl)acetamide
CID 113464669
2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 80573059

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 80573900) is 2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide is O=C(CC1CNc2ccccc21)NCc1ccncc1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is YJBHCOSDXUFEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(19-10-12-5-7-17-8-6-12)9-13-11-18-15-4-2-1-3-14(13)15/h1-8,13,18H,9-11H2,(H,19,20).
What are the key properties of 2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide?
2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 80573900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).