N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide

C16H19ClN2O — CID 2848364

IUPACN-(5-chloro-2-pyridinyl)adamantane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H19ClN2O/c17-13-1-2-14(18-9-13)19-15(20)16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,9-12H,3-8H2,(H,18,19,20)
InChIKeySQOVWRHPUIWJJE-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.89
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide

N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide (PubChem CID 2848364) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)adamantane-1-carboxamide
PubChem CID2848364
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-(5-chloro-2-pyridinyl)adamantane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H19ClN2O/c17-13-1-2-14(18-9-13)19-15(20)16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,9-12H,3-8H2,(H,18,19,20)
InChIKeySQOVWRHPUIWJJE-UHFFFAOYSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-nitro-2-pyridinyl)adamantane-1-carboxamide
CID 4163230
N-[7-(adamantane-1-carbonylamino)-1,8-naphthyridin-2-yl]adamantane-1-carboxamide
CID 11533170
N-(5-fluoro-4-methyl-2-pyridinyl)adamantane-1-carboxamide
CID 169060079
2-(1-adamantyl)-N-[(5-chloro-2-pyridinyl)carbamothioyl]acetamide
CID 3906947
2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
CID 152602540
N-[2-(adamantane-1-carbonylamino)pyrimidin-4-yl]adamantane-1-carboxamide
CID 71513706
N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide
CID 3908305
N-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide
CID 81261991
2-[4-(2-adamantyl)piperazin-1-yl]-N-(5-chloro-2-pyridinyl)acetamide
CID 17270594
N-(5-chloro-2-pyridinyl)-3-methyloxetane-3-carboxamide
CID 146022433
(2R,4R)-N-(5-chloro-2-pyridinyl)-4-ethyl-2-methyl-5-oxooxolane-2-carboxamide
CID 916030
1-amino-N-(5-chloro-2-pyridinyl)-3-methylcyclohexane-1-carboxamide
CID 64550053

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide (CID 2848364) is N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide is O=C(Nc1ccc(Cl)cn1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide?
The InChIKey is SQOVWRHPUIWJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-13-1-2-14(18-9-13)19-15(20)16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,9-12H,3-8H2,(H,18,19,20).
What are the key properties of N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide?
N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide has a molecular weight of 290.79 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide is sourced from PubChem (CID 2848364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).