3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C16H23ClN4O2 — CID 119702041

IUPAC3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCNC(=O)Nc1cccc(NC(=O)C2C3CCC(C3)C2N)c1.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-18-16(22)20-12-4-2-3-11(8-12)19-15(21)13-9-5-6-10(7-9)14(13)17;/h2-4,8-10,13-14H,5-7,17H2,1H3,(H,19,21)(H2,18,20,22);1H
InChIKeyYELQGPPEXWZJNN-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.17
Rot. Bonds3

About 3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119702041) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is 3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119702041
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCNC(=O)Nc1cccc(NC(=O)C2C3CCC(C3)C2N)c1.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-18-16(22)20-12-4-2-3-11(8-12)19-15(21)13-9-5-6-10(7-9)14(13)17;/h2-4,8-10,13-14H,5-7,17H2,1H3,(H,19,21)(H2,18,20,22);1H
InChIKeyYELQGPPEXWZJNN-UHFFFAOYSA-N
XLogP2.17
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.17
H-Bond Donors ≤ 54
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-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119723456
3-amino-N-[3-(methylsulfonylmethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119756848
3-amino-N-[3-(2-methylpropoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119714886
3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119832843
3-amino-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119671159
3-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119819374
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
methyl 2-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methylsulfanyl]acetate;hydrochloride
CID 119775532
3-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119722895
3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119702079

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119702041) is 3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CNC(=O)Nc1cccc(NC(=O)C2C3CCC(C3)C2N)c1.Cl.
What is the InChIKey of 3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is YELQGPPEXWZJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c1-18-16(22)20-12-4-2-3-11(8-12)19-15(21)13-9-5-6-10(7-9)14(13)17;/h2-4,8-10,13-14H,5-7,17H2,1H3,(H,19,21)(H2,18,20,22);1H.
What are the key properties of 3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 2.17, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119702041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).