3-(1H-indol-3-yl)-N-(5-methyl-2-pyridinyl)propanamide

C17H17N3O — CID 17396737

IUPAC3-(1H-indol-3-yl)-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)CCc2c[nH]c3ccccc23)nc1
InChIInChI=1S/C17H17N3O/c1-12-6-8-16(19-10-12)20-17(21)9-7-13-11-18-15-5-3-2-4-14(13)15/h2-6,8,10-11,18H,7,9H2,1H3,(H,19,20,21)
InChIKeyPRWOQIJITFPKOW-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.44
Rot. Bonds4

About 3-(1H-indol-3-yl)-N-(5-methyl-2-pyridinyl)propanamide

3-(1H-indol-3-yl)-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 17396737) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID17396737
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-(1H-indol-3-yl)-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)CCc2c[nH]c3ccccc23)nc1
InChIInChI=1S/C17H17N3O/c1-12-6-8-16(19-10-12)20-17(21)9-7-13-11-18-15-5-3-2-4-14(13)15/h2-6,8,10-11,18H,7,9H2,1H3,(H,19,20,21)
InChIKeyPRWOQIJITFPKOW-UHFFFAOYSA-N
XLogP3.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(5-methyl-2-pyridinyl)propanamide (CID 17396737) is 3-(1H-indol-3-yl)-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(NC(=O)CCc2c[nH]c3ccccc23)nc1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is PRWOQIJITFPKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-6-8-16(19-10-12)20-17(21)9-7-13-11-18-15-5-3-2-4-14(13)15/h2-6,8,10-11,18H,7,9H2,1H3,(H,19,20,21).
What are the key properties of 3-(1H-indol-3-yl)-N-(5-methyl-2-pyridinyl)propanamide?
3-(1H-indol-3-yl)-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 17396737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).