3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-propan-2-yl-N-pyridin-3-ylpropanamide

C26H27N3O2 — CID 86847704

IUPAC3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-propan-2-yl-N-pyridin-3-ylpropanamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(c2cccnc2)C(C)C)cc1
InChIInChI=1S/C26H27N3O2/c1-18(2)29(20-7-6-16-27-17-20)25(30)15-14-23-22-8-4-5-9-24(22)28-26(23)19-10-12-21(31-3)13-11-19/h4-13,16-18,28H,14-15H2,1-3H3
InChIKeyJNBAHMXJVVJDME-UHFFFAOYSA-N
MW413.52 g/mol
LogP5.61
Rot. Bonds7

About 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-propan-2-yl-N-pyridin-3-ylpropanamide

3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-propan-2-yl-N-pyridin-3-ylpropanamide (PubChem CID 86847704) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-propan-2-yl-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-propan-2-yl-N-pyridin-3-ylpropanamide
PubChem CID86847704
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-propan-2-yl-N-pyridin-3-ylpropanamide
SMILESCOc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(c2cccnc2)C(C)C)cc1
InChIInChI=1S/C26H27N3O2/c1-18(2)29(20-7-6-16-27-17-20)25(30)15-14-23-22-8-4-5-9-24(22)28-26(23)19-10-12-21(31-3)13-11-19/h4-13,16-18,28H,14-15H2,1-3H3
InChIKeyJNBAHMXJVVJDME-UHFFFAOYSA-N
XLogP5.61
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-propan-2-yl-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-propan-2-yl-N-pyridin-3-ylpropanamide (CID 86847704) is 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-propan-2-yl-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-propan-2-yl-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-propan-2-yl-N-pyridin-3-ylpropanamide is COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(c2cccnc2)C(C)C)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-propan-2-yl-N-pyridin-3-ylpropanamide?
The InChIKey is JNBAHMXJVVJDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-18(2)29(20-7-6-16-27-17-20)25(30)15-14-23-22-8-4-5-9-24(22)28-26(23)19-10-12-21(31-3)13-11-19/h4-13,16-18,28H,14-15H2,1-3H3.
What are the key properties of 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-propan-2-yl-N-pyridin-3-ylpropanamide?
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-propan-2-yl-N-pyridin-3-ylpropanamide has a molecular weight of 413.52 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-propan-2-yl-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 86847704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).