N-(2-adamantylmethyl)-6-[[benzyl(ethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide

C27H35N3O2 — CID 26316200

IUPACN-(2-adamantylmethyl)-6-[[benzyl(ethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1
InChIInChI=1S/C27H35N3O2/c1-2-30(16-18-6-4-3-5-7-18)17-23-8-9-24(27(32)29-23)26(31)28-15-25-21-11-19-10-20(13-21)14-22(25)12-19/h3-9,19-22,25H,2,10-17H2,1H3,(H,28,31)(H,29,32)
InChIKeyZZYSFVUZSJJSAB-UHFFFAOYSA-N
MW433.60 g/mol
LogP4.20
Rot. Bonds8

About N-(2-adamantylmethyl)-6-[[benzyl(ethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-(2-adamantylmethyl)-6-[[benzyl(ethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 26316200) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is N-(2-adamantylmethyl)-6-[[benzyl(ethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantylmethyl)-6-[[benzyl(ethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID26316200
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC NameN-(2-adamantylmethyl)-6-[[benzyl(ethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1
InChIInChI=1S/C27H35N3O2/c1-2-30(16-18-6-4-3-5-7-18)17-23-8-9-24(27(32)29-23)26(31)28-15-25-21-11-19-10-20(13-21)14-22(25)12-19/h3-9,19-22,25H,2,10-17H2,1H3,(H,28,31)(H,29,32)
InChIKeyZZYSFVUZSJJSAB-UHFFFAOYSA-N
XLogP4.20
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-adamantylmethyl)-6-[[benzyl(ethyl)amino]methyl]-2-oxo-1H-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

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantylmethyl)-6-[[benzyl(ethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-adamantylmethyl)-6-[[benzyl(ethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 26316200) is N-(2-adamantylmethyl)-6-[[benzyl(ethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-adamantylmethyl)-6-[[benzyl(ethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-adamantylmethyl)-6-[[benzyl(ethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide is CCN(Cc1ccccc1)Cc1ccc(C(=O)NCC2C3CC4CC(C3)CC2C4)c(=O)[nH]1.
What is the InChIKey of N-(2-adamantylmethyl)-6-[[benzyl(ethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZZYSFVUZSJJSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-2-30(16-18-6-4-3-5-7-18)17-23-8-9-24(27(32)29-23)26(31)28-15-25-21-11-19-10-20(13-21)14-22(25)12-19/h3-9,19-22,25H,2,10-17H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N-(2-adamantylmethyl)-6-[[benzyl(ethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-(2-adamantylmethyl)-6-[[benzyl(ethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylmethyl)-6-[[benzyl(ethyl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 26316200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).