3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

C15H23Cl2N3O — CID 119830321

IUPAC3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCC(NC(=O)C1C2CCC(C2)C1N)c1ccccn1.Cl.Cl
InChIInChI=1S/C15H21N3O.2ClH/c1-9(12-4-2-3-7-17-12)18-15(19)13-10-5-6-11(8-10)14(13)16;;/h2-4,7,9-11,13-14H,5-6,8,16H2,1H3,(H,18,19);2*1H
InChIKeyDVXJZYXXUHIURM-UHFFFAOYSA-N
MW332.28 g/mol
LogP2.48
Rot. Bonds3

About 3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (PubChem CID 119830321) has the molecular formula C15H23Cl2N3O and a molecular weight of 332.28 g/mol. Its IUPAC name is 3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
PubChem CID119830321
Molecular FormulaC15H23Cl2N3O
Molecular Weight332.28 g/mol
Exact Mass331.12
IUPAC Name3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCC(NC(=O)C1C2CCC(C2)C1N)c1ccccn1.Cl.Cl
InChIInChI=1S/C15H21N3O.2ClH/c1-9(12-4-2-3-7-17-12)18-15(19)13-10-5-6-11(8-10)14(13)16;;/h2-4,7,9-11,13-14H,5-6,8,16H2,1H3,(H,18,19);2*1H
InChIKeyDVXJZYXXUHIURM-UHFFFAOYSA-N
XLogP2.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119669695
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3-amino-N-[1-(2-bromophenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119686134
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CID 119686987
3-amino-N-[1-(4-methylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119705788
3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
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2-amino-N-[(1R)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
CID 81407618
3-(1-pyridin-2-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 43529021
3-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
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2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918518
N-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (CID 119830321) is 3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is CC(NC(=O)C1C2CCC(C2)C1N)c1ccccn1.Cl.Cl.
What is the InChIKey of 3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The InChIKey is DVXJZYXXUHIURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.2ClH/c1-9(12-4-2-3-7-17-12)18-15(19)13-10-5-6-11(8-10)14(13)16;;/h2-4,7,9-11,13-14H,5-6,8,16H2,1H3,(H,18,19);2*1H.
What are the key properties of 3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride has a molecular weight of 332.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119830321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).