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

C17H17N3O — CID 17427007

IUPAC2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCC(NC(=O)Cc1c[nH]c2ccccc12)c1ccncc1
InChIInChI=1S/C17H17N3O/c1-12(13-6-8-18-9-7-13)20-17(21)10-14-11-19-16-5-3-2-4-15(14)16/h2-9,11-12,19H,10H2,1H3,(H,20,21)
InChIKeyKKBVEUIELMFQQW-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.98
Rot. Bonds4

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

2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide (PubChem CID 17427007) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
PubChem CID17427007
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
SMILESCC(NC(=O)Cc1c[nH]c2ccccc12)c1ccncc1
InChIInChI=1S/C17H17N3O/c1-12(13-6-8-18-9-7-13)20-17(21)10-14-11-19-16-5-3-2-4-15(14)16/h2-9,11-12,19H,10H2,1H3,(H,20,21)
InChIKeyKKBVEUIELMFQQW-UHFFFAOYSA-N
XLogP2.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406304
2-(1H-indol-3-yl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 40810685
2-(1H-indol-3-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 63612745
2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716224
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
2-(1H-indol-3-yl)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 78813976
4-(1H-indol-3-yl)-N-(1-phenylethyl)butanamide
CID 4806761
2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide
CID 113209373
N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide
CID 114389821
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51077850
N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide
CID 3677874
N-[1-(2,4-difluorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 51150393

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide (CID 17427007) is 2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide is CC(NC(=O)Cc1c[nH]c2ccccc12)c1ccncc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide?
The InChIKey is KKBVEUIELMFQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12(13-6-8-18-9-7-13)20-17(21)10-14-11-19-16-5-3-2-4-15(14)16/h2-9,11-12,19H,10H2,1H3,(H,20,21).
What are the key properties of 2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide?
2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 2.98, 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-(1-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 17427007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).