4-(1-ethylindol-3-yl)-N-(pyridin-3-ylmethyl)butanamide

C20H23N3O — CID 22522935

IUPAC4-(1-ethylindol-3-yl)-N-(pyridin-3-ylmethyl)butanamide
SMILESCCn1cc(CCCC(=O)NCc2cccnc2)c2ccccc21
InChIInChI=1S/C20H23N3O/c1-2-23-15-17(18-9-3-4-10-19(18)23)8-5-11-20(24)22-14-16-7-6-12-21-13-16/h3-4,6-7,9-10,12-13,15H,2,5,8,11,14H2,1H3,(H,22,24)
InChIKeyMVUTVJFSRDLKLV-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.70
Rot. Bonds7

About 4-(1-ethylindol-3-yl)-N-(pyridin-3-ylmethyl)butanamide

4-(1-ethylindol-3-yl)-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 22522935) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 4-(1-ethylindol-3-yl)-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(1-ethylindol-3-yl)-N-(pyridin-3-ylmethyl)butanamide
PubChem CID22522935
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name4-(1-ethylindol-3-yl)-N-(pyridin-3-ylmethyl)butanamide
SMILESCCn1cc(CCCC(=O)NCc2cccnc2)c2ccccc21
InChIInChI=1S/C20H23N3O/c1-2-23-15-17(18-9-3-4-10-19(18)23)8-5-11-20(24)22-14-16-7-6-12-21-13-16/h3-4,6-7,9-10,12-13,15H,2,5,8,11,14H2,1H3,(H,22,24)
InChIKeyMVUTVJFSRDLKLV-UHFFFAOYSA-N
XLogP3.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylindol-3-yl)-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 4-(1-ethylindol-3-yl)-N-(pyridin-3-ylmethyl)butanamide (CID 22522935) is 4-(1-ethylindol-3-yl)-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 4-(1-ethylindol-3-yl)-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 4-(1-ethylindol-3-yl)-N-(pyridin-3-ylmethyl)butanamide is CCn1cc(CCCC(=O)NCc2cccnc2)c2ccccc21.
What is the InChIKey of 4-(1-ethylindol-3-yl)-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is MVUTVJFSRDLKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-2-23-15-17(18-9-3-4-10-19(18)23)8-5-11-20(24)22-14-16-7-6-12-21-13-16/h3-4,6-7,9-10,12-13,15H,2,5,8,11,14H2,1H3,(H,22,24).
What are the key properties of 4-(1-ethylindol-3-yl)-N-(pyridin-3-ylmethyl)butanamide?
4-(1-ethylindol-3-yl)-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 321.42 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylindol-3-yl)-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 22522935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).