N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]pyridine-3-carboxamide

C30H34N4O3 — CID 3462013

About N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]pyridine-3-carboxamide

N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 3462013) has the molecular formula C30H34N4O3 and a molecular weight of 498.63 g/mol. Its IUPAC name is N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]pyridine-3-carboxamide
• PubChem CID: 3462013
• Molecular Formula: C30H34N4O3
• Molecular Weight: 498.63 g/mol
• Exact Mass: 498.26
• IUPAC Name: N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]pyridine-3-carboxamide
• SMILES: CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1OC)C(=O)c1cccnc1
• InChI: InChI=1S/C30H34N4O3/c1-3-4-17-34(30(36)24-11-9-16-31-19-24)22-29(35)33(21-25-10-5-8-14-28(25)37-2)18-15-23-20-32-27-13-7-6-12-26(23)27/h5-14,16,19-20,32H,3-4,15,17-18,21-22H2,1-2H3
• InChIKey: ZIUQKLFPJICVDP-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 78.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.63
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]pyridine-3-carboxamide?

The IUPAC name of N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]pyridine-3-carboxamide (CID 3462013) is N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]pyridine-3-carboxamide.

What is the SMILES notation for N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]pyridine-3-carboxamide?

The canonical SMILES for N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]pyridine-3-carboxamide is CCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1OC)C(=O)c1cccnc1.

What is the InChIKey of N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]pyridine-3-carboxamide?

The InChIKey is ZIUQKLFPJICVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O3/c1-3-4-17-34(30(36)24-11-9-16-31-19-24)22-29(35)33(21-25-10-5-8-14-28(25)37-2)18-15-23-20-32-27-13-7-6-12-26(23)27/h5-14,16,19-20,32H,3-4,15,17-18,21-22H2,1-2H3.

What are the key properties of N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]pyridine-3-carboxamide?

N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 498.63 g/mol, XLogP of 5.09, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(2-methoxyphenyl)methyl]amino]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 3462013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).