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

C17H17N3O — CID 43429962

IUPAC2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
SMILESCN(Cc1ccncc1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H17N3O/c1-20(12-13-6-8-18-9-7-13)17(21)10-14-11-19-16-5-3-2-4-15(14)16/h2-9,11,19H,10,12H2,1H3
InChIKeyVXFGFWXXFYRGME-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.76
Rot. Bonds4

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

2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 43429962) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
PubChem CID43429962
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
SMILESCN(Cc1ccncc1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H17N3O/c1-20(12-13-6-8-18-9-7-13)17(21)10-14-11-19-16-5-3-2-4-15(14)16/h2-9,11,19H,10,12H2,1H3
InChIKeyVXFGFWXXFYRGME-UHFFFAOYSA-N
XLogP2.76
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 2475782
2-(1H-indol-3-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8950246
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]acetic acid
CID 24707532
N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 42778803
2-(1H-indol-3-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 7535659
2-(1H-indol-3-yl)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110742649
2-(2-methoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 110724807
N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985537
N-[(3,4-dichlorophenyl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide
CID 26622391
2-(6-fluoro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113209385
2-(5-chloro-1H-indol-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110411692
N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide (CID 43429962) is 2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide is CN(Cc1ccncc1)C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is VXFGFWXXFYRGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20(12-13-6-8-18-9-7-13)17(21)10-14-11-19-16-5-3-2-4-15(14)16/h2-9,11,19H,10,12H2,1H3.
What are the key properties of 2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide?
2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 43429962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).