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

C17H22N2O — CID 3142834

IUPACN-(3-methyl-2-pyridinyl)adamantane-1-carboxamide
SMILESCc1cccnc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2O/c1-11-3-2-4-18-15(11)19-16(20)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14H,5-10H2,1H3,(H,18,19,20)
InChIKeyNKBASVWWFCWZRV-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.54
Rot. Bonds2

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

N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide (PubChem CID 3142834) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)adamantane-1-carboxamide
PubChem CID3142834
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-(3-methyl-2-pyridinyl)adamantane-1-carboxamide
SMILESCc1cccnc1NC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H22N2O/c1-11-3-2-4-18-15(11)19-16(20)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14H,5-10H2,1H3,(H,18,19,20)
InChIKeyNKBASVWWFCWZRV-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide (CID 3142834) is N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide is Cc1cccnc1NC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide?
The InChIKey is NKBASVWWFCWZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-3-2-4-18-15(11)19-16(20)17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,12-14H,5-10H2,1H3,(H,18,19,20).
What are the key properties of N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide?
N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide is sourced from PubChem (CID 3142834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).