4-(1H-indol-3-yl)-N-(3-methyl-2-pyridinyl)butanamide

C18H19N3O — CID 24818294

IUPAC4-(1H-indol-3-yl)-N-(3-methyl-2-pyridinyl)butanamide
SMILESCc1cccnc1NC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H19N3O/c1-13-6-5-11-19-18(13)21-17(22)10-4-7-14-12-20-16-9-3-2-8-15(14)16/h2-3,5-6,8-9,11-12,20H,4,7,10H2,1H3,(H,19,21,22)
InChIKeyFSZPZKHZGAVQBG-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.83
Rot. Bonds5

About 4-(1H-indol-3-yl)-N-(3-methyl-2-pyridinyl)butanamide

4-(1H-indol-3-yl)-N-(3-methyl-2-pyridinyl)butanamide (PubChem CID 24818294) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-(3-methyl-2-pyridinyl)butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-(3-methyl-2-pyridinyl)butanamide
PubChem CID24818294
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-(1H-indol-3-yl)-N-(3-methyl-2-pyridinyl)butanamide
SMILESCc1cccnc1NC(=O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H19N3O/c1-13-6-5-11-19-18(13)21-17(22)10-4-7-14-12-20-16-9-3-2-8-15(14)16/h2-3,5-6,8-9,11-12,20H,4,7,10H2,1H3,(H,19,21,22)
InChIKeyFSZPZKHZGAVQBG-UHFFFAOYSA-N
XLogP3.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-(3-methyl-2-pyridinyl)butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-(3-methyl-2-pyridinyl)butanamide (CID 24818294) is 4-(1H-indol-3-yl)-N-(3-methyl-2-pyridinyl)butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-(3-methyl-2-pyridinyl)butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-(3-methyl-2-pyridinyl)butanamide is Cc1cccnc1NC(=O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indol-3-yl)-N-(3-methyl-2-pyridinyl)butanamide?
The InChIKey is FSZPZKHZGAVQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-6-5-11-19-18(13)21-17(22)10-4-7-14-12-20-16-9-3-2-8-15(14)16/h2-3,5-6,8-9,11-12,20H,4,7,10H2,1H3,(H,19,21,22).
What are the key properties of 4-(1H-indol-3-yl)-N-(3-methyl-2-pyridinyl)butanamide?
4-(1H-indol-3-yl)-N-(3-methyl-2-pyridinyl)butanamide has a molecular weight of 293.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-(3-methyl-2-pyridinyl)butanamide is sourced from PubChem (CID 24818294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).