N-pyridin-3-yladamantane-1-carboxamide

C16H20N2O — CID 2836425

IUPACN-pyridin-3-yladamantane-1-carboxamide
SMILESO=C(Nc1cccnc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H20N2O/c19-15(18-14-2-1-3-17-10-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,10-13H,4-9H2,(H,18,19)
InChIKeyMGBORZAPXBYLOA-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.24
Rot. Bonds2

About N-pyridin-3-yladamantane-1-carboxamide

N-pyridin-3-yladamantane-1-carboxamide (PubChem CID 2836425) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-pyridin-3-yladamantane-1-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yladamantane-1-carboxamide
PubChem CID2836425
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-pyridin-3-yladamantane-1-carboxamide
SMILESO=C(Nc1cccnc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H20N2O/c19-15(18-14-2-1-3-17-10-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,10-13H,4-9H2,(H,18,19)
InChIKeyMGBORZAPXBYLOA-UHFFFAOYSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yladamantane-1-carboxamide?
The IUPAC name of N-pyridin-3-yladamantane-1-carboxamide (CID 2836425) is N-pyridin-3-yladamantane-1-carboxamide.
What is the SMILES notation for N-pyridin-3-yladamantane-1-carboxamide?
The canonical SMILES for N-pyridin-3-yladamantane-1-carboxamide is O=C(Nc1cccnc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-pyridin-3-yladamantane-1-carboxamide?
The InChIKey is MGBORZAPXBYLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-15(18-14-2-1-3-17-10-14)16-7-11-4-12(8-16)6-13(5-11)9-16/h1-3,10-13H,4-9H2,(H,18,19).
What are the key properties of N-pyridin-3-yladamantane-1-carboxamide?
N-pyridin-3-yladamantane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yladamantane-1-carboxamide is sourced from PubChem (CID 2836425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).