N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide

C16H19ClN2O — CID 3908305

IUPACN-(2-chloro-3-pyridinyl)adamantane-1-carboxamide
SMILESO=C(Nc1cccnc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H19ClN2O/c17-14-13(2-1-3-18-14)19-15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12H,4-9H2,(H,19,20)
InChIKeyIJCMKEARKAADKO-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.89
Rot. Bonds2

About N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide

N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide (PubChem CID 3908305) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)adamantane-1-carboxamide
PubChem CID3908305
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-(2-chloro-3-pyridinyl)adamantane-1-carboxamide
SMILESO=C(Nc1cccnc1Cl)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H19ClN2O/c17-14-13(2-1-3-18-14)19-15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12H,4-9H2,(H,19,20)
InChIKeyIJCMKEARKAADKO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide
CID 3142834
N-(1,10-phenanthrolin-5-yl)adamantane-1-carboxamide
CID 102048380
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate
CID 2124189
methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate
CID 155558946
N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide
CID 2848364
(1R,2S,4S)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40605958
4-amino-N-(2-chloro-3-pyridinyl)oxane-4-carboxamide
CID 113280621
(1R,2R,4R)-N-(2-chloro-3-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98296679
N-(2-chloro-4-iodophenyl)adamantane-1-carboxamide
CID 107606816
N-[1-(1-adamantyl)ethyl]-2-chloropyridin-3-amine
CID 43690050
N-(2-bromo-5-chlorophenyl)adamantane-1-carboxamide
CID 81261991
N-[4-(4-chloro-1H-imidazo[4,5-c]pyridin-2-yl)phenyl]adamantane-1-carboxamide
CID 11742104

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide (CID 3908305) is N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide is O=C(Nc1cccnc1Cl)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide?
The InChIKey is IJCMKEARKAADKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-14-13(2-1-3-18-14)19-15(20)16-7-10-4-11(8-16)6-12(5-10)9-16/h1-3,10-12H,4-9H2,(H,19,20).
What are the key properties of N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide?
N-(2-chloro-3-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-(2-chloro-3-pyridinyl)adamantane-1-carboxamide is sourced from PubChem (CID 3908305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).