2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide

C16H17N3O — CID 47389879

IUPAC2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CN1CCc2ccccc21)NCc1ccncc1
InChIInChI=1S/C16H17N3O/c20-16(18-11-13-5-8-17-9-6-13)12-19-10-7-14-3-1-2-4-15(14)19/h1-6,8-9H,7,10-12H2,(H,18,20)
InChIKeyCWJUWNJJTFSTSQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.76
Rot. Bonds4

About 2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide

2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 47389879) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID47389879
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(CN1CCc2ccccc21)NCc1ccncc1
InChIInChI=1S/C16H17N3O/c20-16(18-11-13-5-8-17-9-6-13)12-19-10-7-14-3-1-2-4-15(14)19/h1-6,8-9H,7,10-12H2,(H,18,20)
InChIKeyCWJUWNJJTFSTSQ-UHFFFAOYSA-N
XLogP1.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654337
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110754905
2-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]acetic acid
CID 82041294
2-(2,3-dihydroindol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 8704444
N-benzyl-3-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]benzamide
CID 54810849
2-(2,3-dihydroindol-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001520
N-[[4-[[2-(2,3-dihydroindol-1-yl)acetyl]amino]phenyl]methyl]azetidine-1-carboxamide
CID 75461838
2-(2,3-dihydroindol-1-yl)-N-phenylacetamide
CID 22199878
1-(2-pyridin-4-ylethyl)-2,3-dihydroindole
CID 25056
1-(2,3-dihydroindol-1-yl)-2-(pyridin-4-ylmethylamino)ethanone
CID 108999656
3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109055189
N-[2-(2,3-dihydroindol-1-yl)ethyl]-2-phenyl-3-pyridin-4-ylpropanamide
CID 110620139

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide (CID 47389879) is 2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide is O=C(CN1CCc2ccccc21)NCc1ccncc1.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is CWJUWNJJTFSTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(18-11-13-5-8-17-9-6-13)12-19-10-7-14-3-1-2-4-15(14)19/h1-6,8-9H,7,10-12H2,(H,18,20).
What are the key properties of 2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide?
2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 267.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 47389879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).