N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-(2-methylcyclohexa-2,5-diene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

About N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-(2-methylcyclohexa-2,5-diene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-(2-methylcyclohexa-2,5-diene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 3482389) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-(2-methylcyclohexa-2,5-diene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name	N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-(2-methylcyclohexa-2,5-diene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID	3482389
Molecular Formula	C30H34N4O2
Molecular Weight	482.63 g/mol
Exact Mass	482.27
IUPAC Name	N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-(2-methylcyclohexa-2,5-diene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
SMILES	CC1=CCC=CC1C(=O)N1CCC(c2nc(C)ccc2C(=O)NCCc2c[nH]c3ccccc23)CC1
InChI	InChI=1S/C30H34N4O2/c1-20-7-3-4-8-24(20)30(36)34-17-14-22(15-18-34)28-26(12-11-21(2)33-28)29(35)31-16-13-23-19-32-27-10-6-5-9-25(23)27/h4-12,19,22,24,32H,3,13-18H2,1-2H3,(H,31,35)
InChIKey	HMNYIVHJSCSTPJ-UHFFFAOYSA-N
XLogP	5.07
TPSA	78.09 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.63
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-(2-methylcyclohexa-2,5-diene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?

The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-(2-methylcyclohexa-2,5-diene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide (CID 3482389) is N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-(2-methylcyclohexa-2,5-diene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-(2-methylcyclohexa-2,5-diene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-(2-methylcyclohexa-2,5-diene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is CC1=CCC=CC1C(=O)N1CCC(c2nc(C)ccc2C(=O)NCCc2c[nH]c3ccccc23)CC1.

What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-(2-methylcyclohexa-2,5-diene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?

The InChIKey is HMNYIVHJSCSTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-20-7-3-4-8-24(20)30(36)34-17-14-22(15-18-34)28-26(12-11-21(2)33-28)29(35)31-16-13-23-19-32-27-10-6-5-9-25(23)27/h4-12,19,22,24,32H,3,13-18H2,1-2H3,(H,31,35).

What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-(2-methylcyclohexa-2,5-diene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide?

N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-(2-methylcyclohexa-2,5-diene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 482.63 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-[1-(2-methylcyclohexa-2,5-diene-1-carbonyl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 3482389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).