2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide

C23H28N4O — CID 47080290

IUPAC2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide
SMILESCc1cc(CNC(=O)c2cccnc2N2CCCCC2)c2[nH]c(C)c(C)c2c1
InChIInChI=1S/C23H28N4O/c1-15-12-18(21-20(13-15)16(2)17(3)26-21)14-25-23(28)19-8-7-9-24-22(19)27-10-5-4-6-11-27/h7-9,12-13,26H,4-6,10-11,14H2,1-3H3,(H,25,28)
InChIKeyZEWHOFYQUMODLK-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.41
Rot. Bonds4

About 2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide

2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide (PubChem CID 47080290) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide
PubChem CID47080290
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide
SMILESCc1cc(CNC(=O)c2cccnc2N2CCCCC2)c2[nH]c(C)c(C)c2c1
InChIInChI=1S/C23H28N4O/c1-15-12-18(21-20(13-15)16(2)17(3)26-21)14-25-23(28)19-8-7-9-24-22(19)27-10-5-4-6-11-27/h7-9,12-13,26H,4-6,10-11,14H2,1-3H3,(H,25,28)
InChIKeyZEWHOFYQUMODLK-UHFFFAOYSA-N
XLogP4.41
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
1-pyridin-2-yl-3-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]urea
CID 47085396
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755699
N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 9403592
2-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 84575233
N-(2-aminoethyl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119383900
2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 17482313
N-[2-(3-methylphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 60611627
2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide
CID 75512496
N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 86998055
N-[2-(1H-indol-3-yl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 84576774

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide (CID 47080290) is 2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide is Cc1cc(CNC(=O)c2cccnc2N2CCCCC2)c2[nH]c(C)c(C)c2c1.
What is the InChIKey of 2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide?
The InChIKey is ZEWHOFYQUMODLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-15-12-18(21-20(13-15)16(2)17(3)26-21)14-25-23(28)19-8-7-9-24-22(19)27-10-5-4-6-11-27/h7-9,12-13,26H,4-6,10-11,14H2,1-3H3,(H,25,28).
What are the key properties of 2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide?
2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 47080290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).