3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide

C19H26N2O — CID 6468967

IUPAC3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NCc1cccnc1)(C3)C2
InChIInChI=1S/C19H26N2O/c1-17-6-15-7-18(2,11-17)13-19(8-15,12-17)16(22)21-10-14-4-3-5-20-9-14/h3-5,9,15H,6-8,10-13H2,1-2H3,(H,21,22)
InChIKeyBMOXTRDXGVCHJL-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.69
Rot. Bonds3

About 3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide

3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide (PubChem CID 6468967) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide
PubChem CID6468967
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NCc1cccnc1)(C3)C2
InChIInChI=1S/C19H26N2O/c1-17-6-15-7-18(2,11-17)13-19(8-15,12-17)16(22)21-10-14-4-3-5-20-9-14/h3-5,9,15H,6-8,10-13H2,1-2H3,(H,21,22)
InChIKeyBMOXTRDXGVCHJL-UHFFFAOYSA-N
XLogP3.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-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

(3S,5S)-N-[(4-hydroxyphenyl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 98237435
N'-(3,5-dimethyladamantane-1-carbonyl)pyridine-3-carbohydrazide
CID 3315534
(3R,5R)-N-[(1-ethylpyrazol-4-yl)methyl]-3,5-dimethyladamantane-1-carboxamide
CID 98331377
(15R)-15-methyl-N-(pyridin-3-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1253739
1-N,1-N'-bis(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976772
1-(aminomethyl)-3-methyl-N-(pyridin-3-ylmethyl)cyclobutane-1-carboxamide
CID 80588086
1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea
CID 108870288
(1S,4R)-3,3-dimethyl-2-methylidene-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 98086101
(3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide
CID 98075814
1-N-propyl-1-N'-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108970227
N-[(3R,5S)-3,5-dimethyl-1-adamantyl]pyridine-3-carboxamide
CID 71510461
1-(aminomethyl)-4-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 115441427

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide (CID 6468967) is 3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide is CC12CC3CC(C)(C1)CC(C(=O)NCc1cccnc1)(C3)C2.
What is the InChIKey of 3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide?
The InChIKey is BMOXTRDXGVCHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-17-6-15-7-18(2,11-17)13-19(8-15,12-17)16(22)21-10-14-4-3-5-20-9-14/h3-5,9,15H,6-8,10-13H2,1-2H3,(H,21,22).
What are the key properties of 3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide?
3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(pyridin-3-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 6468967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).