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

C17H17N3O — CID 17405892

IUPAC3-(1H-indol-3-yl)-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H17N3O/c1-12-8-9-18-16(10-12)20-17(21)7-6-13-11-19-15-5-3-2-4-14(13)15/h2-5,8-11,19H,6-7H2,1H3,(H,18,20,21)
InChIKeyRCYAIMPYKHNMIY-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.44
Rot. Bonds4

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

3-(1H-indol-3-yl)-N-(4-methyl-2-pyridinyl)propanamide (PubChem CID 17405892) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-(4-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-(4-methyl-2-pyridinyl)propanamide
PubChem CID17405892
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-(1H-indol-3-yl)-N-(4-methyl-2-pyridinyl)propanamide
SMILESCc1ccnc(NC(=O)CCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C17H17N3O/c1-12-8-9-18-16(10-12)20-17(21)7-6-13-11-19-15-5-3-2-4-14(13)15/h2-5,8-11,19H,6-7H2,1H3,(H,18,20,21)
InChIKeyRCYAIMPYKHNMIY-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-(4-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-(4-methyl-2-pyridinyl)propanamide (CID 17405892) is 3-(1H-indol-3-yl)-N-(4-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-(4-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-(4-methyl-2-pyridinyl)propanamide is Cc1ccnc(NC(=O)CCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-(4-methyl-2-pyridinyl)propanamide?
The InChIKey is RCYAIMPYKHNMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-8-9-18-16(10-12)20-17(21)7-6-13-11-19-15-5-3-2-4-14(13)15/h2-5,8-11,19H,6-7H2,1H3,(H,18,20,21).
What are the key properties of 3-(1H-indol-3-yl)-N-(4-methyl-2-pyridinyl)propanamide?
3-(1H-indol-3-yl)-N-(4-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-(4-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 17405892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).