N-(2-adamantyl)-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide

C21H31N3O2 — CID 56852602

IUPACN-(2-adamantyl)-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)N(C)Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)[nH]1
InChIInChI=1S/C21H31N3O2/c1-12(2)24(3)11-17-4-5-18(20(25)22-17)21(26)23-19-15-7-13-6-14(9-15)10-16(19)8-13/h4-5,12-16,19H,6-11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyYJCDPFAUTSVWHG-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.77
Rot. Bonds5

About N-(2-adamantyl)-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-(2-adamantyl)-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 56852602) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-(2-adamantyl)-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID56852602
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-(2-adamantyl)-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCC(C)N(C)Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)[nH]1
InChIInChI=1S/C21H31N3O2/c1-12(2)24(3)11-17-4-5-18(20(25)22-17)21(26)23-19-15-7-13-6-14(9-15)10-16(19)8-13/h4-5,12-16,19H,6-11H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyYJCDPFAUTSVWHG-UHFFFAOYSA-N
XLogP2.77
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-adamantyl)-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 56852602) is N-(2-adamantyl)-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-adamantyl)-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide is CC(C)N(C)Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)[nH]1.
What is the InChIKey of N-(2-adamantyl)-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YJCDPFAUTSVWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-12(2)24(3)11-17-4-5-18(20(25)22-17)21(26)23-19-15-7-13-6-14(9-15)10-16(19)8-13/h4-5,12-16,19H,6-11H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(2-adamantyl)-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-(2-adamantyl)-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-6-[[methyl(propan-2-yl)amino]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56852602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).