N-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C13H17N3O — CID 103814554

IUPACN-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cncc(NC(=O)C2CC3CCC2N3)c1
InChIInChI=1S/C13H17N3O/c1-8-4-10(7-14-6-8)16-13(17)11-5-9-2-3-12(11)15-9/h4,6-7,9,11-12,15H,2-3,5H2,1H3,(H,16,17)
InChIKeyMSUUUQPYLJFMLG-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.47
Rot. Bonds2

About N-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 103814554) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID103814554
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cncc(NC(=O)C2CC3CCC2N3)c1
InChIInChI=1S/C13H17N3O/c1-8-4-10(7-14-6-8)16-13(17)11-5-9-2-3-12(11)15-9/h4,6-7,9,11-12,15H,2-3,5H2,1H3,(H,16,17)
InChIKeyMSUUUQPYLJFMLG-UHFFFAOYSA-N
XLogP1.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(5-methyl-3-pyridinyl)cyclopropanecarboxamide
CID 144888872
N-(2,3,5,6-tetrafluorophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 107641674
(2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119884720
N-(5-methyl-3-pyridinyl)piperidine-2-carboxamide
CID 103814497
N-(4-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 83166662
N-(5-tert-butyl-1H-pyrazol-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 104618514
5-[(5-methyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 107584585
N-(2,5-dimethyl-4-nitrophenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 103145425
N-(2-cyano-3-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 107805027
N-[(1S)-1-(4-bromophenyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 81359990
methyl (1R,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 131071322
methyl (1R,2S,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 12068849

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 103814554) is N-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is Cc1cncc(NC(=O)C2CC3CCC2N3)c1.
What is the InChIKey of N-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is MSUUUQPYLJFMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-4-10(7-14-6-8)16-13(17)11-5-9-2-3-12(11)15-9/h4,6-7,9,11-12,15H,2-3,5H2,1H3,(H,16,17).
What are the key properties of N-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 103814554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).