N-(5-chloro-3-pyridinyl)adamantane-2-carboxamide

C16H19ClN2O — CID 146095510

IUPACN-(5-chloro-3-pyridinyl)adamantane-2-carboxamide
SMILESO=C(Nc1cncc(Cl)c1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H19ClN2O/c17-13-6-14(8-18-7-13)19-16(20)15-11-2-9-1-10(4-11)5-12(15)3-9/h6-12,15H,1-5H2,(H,19,20)
InChIKeySIKCHUGQUHWWSX-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.75
Rot. Bonds2

About N-(5-chloro-3-pyridinyl)adamantane-2-carboxamide

N-(5-chloro-3-pyridinyl)adamantane-2-carboxamide (PubChem CID 146095510) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is N-(5-chloro-3-pyridinyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-3-pyridinyl)adamantane-2-carboxamide
PubChem CID146095510
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC NameN-(5-chloro-3-pyridinyl)adamantane-2-carboxamide
SMILESO=C(Nc1cncc(Cl)c1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H19ClN2O/c17-13-6-14(8-18-7-13)19-16(20)15-11-2-9-1-10(4-11)5-12(15)3-9/h6-12,15H,1-5H2,(H,19,20)
InChIKeySIKCHUGQUHWWSX-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-pyridinyl)adamantane-2-carboxamide?
The IUPAC name of N-(5-chloro-3-pyridinyl)adamantane-2-carboxamide (CID 146095510) is N-(5-chloro-3-pyridinyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(5-chloro-3-pyridinyl)adamantane-2-carboxamide?
The canonical SMILES for N-(5-chloro-3-pyridinyl)adamantane-2-carboxamide is O=C(Nc1cncc(Cl)c1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(5-chloro-3-pyridinyl)adamantane-2-carboxamide?
The InChIKey is SIKCHUGQUHWWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-13-6-14(8-18-7-13)19-16(20)15-11-2-9-1-10(4-11)5-12(15)3-9/h6-12,15H,1-5H2,(H,19,20).
What are the key properties of N-(5-chloro-3-pyridinyl)adamantane-2-carboxamide?
N-(5-chloro-3-pyridinyl)adamantane-2-carboxamide has a molecular weight of 290.79 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-pyridinyl)adamantane-2-carboxamide is sourced from PubChem (CID 146095510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).