N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide

C20H22N4O2 — CID 113055312

IUPACN-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1c[nH]c2ccccc12)Cc1cccnc1
InChIInChI=1S/C20H22N4O2/c1-15(25)24(14-16-5-4-8-21-12-16)10-9-22-20(26)11-17-13-23-19-7-3-2-6-18(17)19/h2-8,12-13,23H,9-11,14H2,1H3,(H,22,26)
InChIKeyBAWMMCWRCNTBLF-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.27
Rot. Bonds7

About N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide

N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 113055312) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
PubChem CID113055312
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1c[nH]c2ccccc12)Cc1cccnc1
InChIInChI=1S/C20H22N4O2/c1-15(25)24(14-16-5-4-8-21-12-16)10-9-22-20(26)11-17-13-23-19-7-3-2-6-18(17)19/h2-8,12-13,23H,9-11,14H2,1H3,(H,22,26)
InChIKeyBAWMMCWRCNTBLF-UHFFFAOYSA-N
XLogP2.27
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(3-bromophenyl)acetamide
CID 113055347
N-[2-[acetyl(pyridin-4-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113055438
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586
3-[acetyl(pyridin-3-ylmethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113120356
N-[2-(1H-indol-3-yl)ethyl]-2,6-dimethyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 77090076
N-[2-(N-acetyl-2,6-difluoroanilino)ethyl]-2-(1H-indol-3-yl)acetamide
CID 113064521
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113053059
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113052669
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide
CID 113055301
N-cyclopropyl-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46124380
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113121768

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide (CID 113055312) is N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide is CC(=O)N(CCNC(=O)Cc1c[nH]c2ccccc12)Cc1cccnc1.
What is the InChIKey of N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is BAWMMCWRCNTBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15(25)24(14-16-5-4-8-21-12-16)10-9-22-20(26)11-17-13-23-19-7-3-2-6-18(17)19/h2-8,12-13,23H,9-11,14H2,1H3,(H,22,26).
What are the key properties of N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide?
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 113055312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).