N-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide

C13H17N3O — CID 61364724

IUPACN-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNc1ccc(NC(=O)C2CC3CCC2C3)nc1
InChIInChI=1S/C13H17N3O/c14-10-3-4-12(15-7-10)16-13(17)11-6-8-1-2-9(11)5-8/h3-4,7-9,11H,1-2,5-6,14H2,(H,15,16,17)
InChIKeyZDJAIHTUWXTRSZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.04
Rot. Bonds2

About N-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide

N-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 61364724) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID61364724
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNc1ccc(NC(=O)C2CC3CCC2C3)nc1
InChIInChI=1S/C13H17N3O/c14-10-3-4-12(15-7-10)16-13(17)11-6-8-1-2-9(11)5-8/h3-4,7-9,11H,1-2,5-6,14H2,(H,15,16,17)
InChIKeyZDJAIHTUWXTRSZ-UHFFFAOYSA-N
XLogP2.04
TPSA68.01 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 ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,4S)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 40530150
N-(5-iodo-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 65098597
(1R,2R,4R)-N-(5-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 98280304
(1R,2R,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 40532945
(1S,2S,4S)-N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 98329182
N-(5-amino-3-methyl-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 112555408
N-(5-amino-2-pyridinyl)cycloheptanecarboxamide
CID 62586115
N-(5-methyl-1H-pyrazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 47289727
(1R,2R,4S)-N-pyridin-3-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 790200
(1R,2S,4S)-N-(5-methyl-1,2-oxazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 6593221
(1S,2S,4R)-N-(5-methyl-1,2-oxazol-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 1205649
N-(2-carbamoylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 2853331

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 61364724) is N-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide is Nc1ccc(NC(=O)C2CC3CCC2C3)nc1.
What is the InChIKey of N-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ZDJAIHTUWXTRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-10-3-4-12(15-7-10)16-13(17)11-6-8-1-2-9(11)5-8/h3-4,7-9,11H,1-2,5-6,14H2,(H,15,16,17).
What are the key properties of N-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide?
N-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 61364724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).