3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

C14H21Cl2N3O — CID 119832843

IUPAC3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCc1cc(NC(=O)C2C3CCC(C3)C2N)ccn1.Cl.Cl
InChIInChI=1S/C14H19N3O.2ClH/c1-8-6-11(4-5-16-8)17-14(18)12-9-2-3-10(7-9)13(12)15;;/h4-6,9-10,12-13H,2-3,7,15H2,1H3,(H,16,17,18);2*1H
InChIKeyRZTTTXAVXUNALQ-UHFFFAOYSA-N
MW318.25 g/mol
LogP2.55
Rot. Bonds2

About 3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride

3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (PubChem CID 119832843) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
PubChem CID119832843
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
SMILESCc1cc(NC(=O)C2C3CCC(C3)C2N)ccn1.Cl.Cl
InChIInChI=1S/C14H19N3O.2ClH/c1-8-6-11(4-5-16-8)17-14(18)12-9-2-3-10(7-9)13(12)15;;/h4-6,9-10,12-13H,2-3,7,15H2,1H3,(H,16,17,18);2*1H
InChIKeyRZTTTXAVXUNALQ-UHFFFAOYSA-N
XLogP2.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119680372
3-amino-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119671159
3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702041
3-amino-N-[3-(1H-pyrazol-5-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119707776
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119733216
N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700273
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702824
4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride
CID 119893224
2-amino-N-(2-methyl-4-pyridinyl)cyclopentane-1-carboxamide
CID 79240939
3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119711249
3-amino-N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119723456
3-amino-N-(3-pyridin-2-yloxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119884835

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride (CID 119832843) is 3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is Cc1cc(NC(=O)C2C3CCC(C3)C2N)ccn1.Cl.Cl.
What is the InChIKey of 3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
The InChIKey is RZTTTXAVXUNALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O.2ClH/c1-8-6-11(4-5-16-8)17-14(18)12-9-2-3-10(7-9)13(12)15;;/h4-6,9-10,12-13H,2-3,7,15H2,1H3,(H,16,17,18);2*1H.
What are the key properties of 3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride?
3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride has a molecular weight of 318.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119832843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).