3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide

C21H24N4O2 — CID 113121768

IUPAC3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccncc1)CCc1c[nH]c2ccccc12
InChIInChI=1S/C21H24N4O2/c1-16(26)25(12-8-18-15-23-20-5-3-2-4-19(18)20)13-9-21(27)24-14-17-6-10-22-11-7-17/h2-7,10-11,15,23H,8-9,12-14H2,1H3,(H,24,27)
InChIKeyMDQAQJBNSMWKSF-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.66
Rot. Bonds8

About 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide

3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 113121768) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
PubChem CID113121768
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccncc1)CCc1c[nH]c2ccccc12
InChIInChI=1S/C21H24N4O2/c1-16(26)25(12-8-18-15-23-20-5-3-2-4-19(18)20)13-9-21(27)24-14-17-6-10-22-11-7-17/h2-7,10-11,15,23H,8-9,12-14H2,1H3,(H,24,27)
InChIKeyMDQAQJBNSMWKSF-UHFFFAOYSA-N
XLogP2.66
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113121754
3-[acetyl(butyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113115765
3-[acetyl(2-methoxyethyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113116924
3-[acetyl(propyl)amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113114952
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide
CID 113121825
3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide
CID 113123311
3-[acetyl(prop-2-enyl)amino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 113115565
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-benzyl-N-ethylpropanamide
CID 113121765
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 26447481
N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 11448238
N-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056159
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120931

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide (CID 113121768) is 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide is CC(=O)N(CCC(=O)NCc1ccncc1)CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is MDQAQJBNSMWKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-16(26)25(12-8-18-15-23-20-5-3-2-4-19(18)20)13-9-21(27)24-14-17-6-10-22-11-7-17/h2-7,10-11,15,23H,8-9,12-14H2,1H3,(H,24,27).
What are the key properties of 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide?
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 364.45 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 113121768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).