N-(pyridin-3-ylmethyl)adamantane-2-carboxamide

C17H22N2O — CID 46532026

IUPACN-(pyridin-3-ylmethyl)adamantane-2-carboxamide
SMILESO=C(NCc1cccnc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22N2O/c20-17(19-10-11-2-1-3-18-9-11)16-14-5-12-4-13(7-14)8-15(16)6-12/h1-3,9,12-16H,4-8,10H2,(H,19,20)
InChIKeyFTHOSUCVVCDBHP-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.77
Rot. Bonds3

About N-(pyridin-3-ylmethyl)adamantane-2-carboxamide

N-(pyridin-3-ylmethyl)adamantane-2-carboxamide (PubChem CID 46532026) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)adamantane-2-carboxamide
PubChem CID46532026
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(pyridin-3-ylmethyl)adamantane-2-carboxamide
SMILESO=C(NCc1cccnc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22N2O/c20-17(19-10-11-2-1-3-18-9-11)16-14-5-12-4-13(7-14)8-15(16)6-12/h1-3,9,12-16H,4-8,10H2,(H,19,20)
InChIKeyFTHOSUCVVCDBHP-UHFFFAOYSA-N
XLogP2.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyladamantane-2-carboxamide
CID 51191471
(2S,3S)-3-(pyridin-3-ylmethylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 40636476
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
(1R,2S,3S,4R)-3-(pyridin-3-ylmethylcarbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 98211060
(1R,2R,3R,4R)-3-(pyridin-3-ylmethylcarbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 124715252
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
1-(1-adamantylmethyl)-3-(pyridin-3-ylmethyl)urea
CID 108870288
N-[(4-bromophenyl)methyl]adamantane-2-carboxamide
CID 81100708
3-amino-N-(pyridin-3-ylmethyl)cyclopentane-1-carboxamide
CID 66030290
1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 98763014
(2S)-N-(pyridin-3-ylmethyl)-1,4-dioxane-2-carboxamide
CID 39890239

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)adamantane-2-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)adamantane-2-carboxamide (CID 46532026) is N-(pyridin-3-ylmethyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)adamantane-2-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)adamantane-2-carboxamide is O=C(NCc1cccnc1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(pyridin-3-ylmethyl)adamantane-2-carboxamide?
The InChIKey is FTHOSUCVVCDBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-17(19-10-11-2-1-3-18-9-11)16-14-5-12-4-13(7-14)8-15(16)6-12/h1-3,9,12-16H,4-8,10H2,(H,19,20).
What are the key properties of N-(pyridin-3-ylmethyl)adamantane-2-carboxamide?
N-(pyridin-3-ylmethyl)adamantane-2-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)adamantane-2-carboxamide is sourced from PubChem (CID 46532026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).