N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride

C22H28Cl2N4O2 — CID 119887003

IUPACN-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
SMILESCN(C(=O)c1ccncc1)c1ccc(CNC(=O)C2C3CCC(C3)C2N)cc1.Cl.Cl
InChIInChI=1S/C22H26N4O2.2ClH/c1-26(22(28)15-8-10-24-11-9-15)18-6-2-14(3-7-18)13-25-21(27)19-16-4-5-17(12-16)20(19)23;;/h2-3,6-11,16-17,19-20H,4-5,12-13,23H2,1H3,(H,25,27);2*1H
InChIKeyJILAXISNGPQZAC-UHFFFAOYSA-N
MW451.40 g/mol
LogP3.19
Rot. Bonds5

About N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride

N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride (PubChem CID 119887003) has the molecular formula C22H28Cl2N4O2 and a molecular weight of 451.40 g/mol. Its IUPAC name is N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
PubChem CID119887003
Molecular FormulaC22H28Cl2N4O2
Molecular Weight451.40 g/mol
Exact Mass450.16
IUPAC NameN-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
SMILESCN(C(=O)c1ccncc1)c1ccc(CNC(=O)C2C3CCC(C3)C2N)cc1.Cl.Cl
InChIInChI=1S/C22H26N4O2.2ClH/c1-26(22(28)15-8-10-24-11-9-15)18-6-2-14(3-7-18)13-25-21(27)19-16-4-5-17(12-16)20(19)23;;/h2-3,6-11,16-17,19-20H,4-5,12-13,23H2,1H3,(H,25,27);2*1H
InChIKeyJILAXISNGPQZAC-UHFFFAOYSA-N
XLogP3.19
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.40
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103808876
3-amino-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119675800
N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119886989
3-amino-N-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119716369
3-amino-N-[(4-methylsulfanylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119747894
3-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119737448
N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 119870453
N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119887029
3-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119694814
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119689643
3-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119803043
3-amino-N-[[4-(ethylsulfamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119821858

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride (CID 119887003) is N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride is CN(C(=O)c1ccncc1)c1ccc(CNC(=O)C2C3CCC(C3)C2N)cc1.Cl.Cl.
What is the InChIKey of N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride?
The InChIKey is JILAXISNGPQZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.2ClH/c1-26(22(28)15-8-10-24-11-9-15)18-6-2-14(3-7-18)13-25-21(27)19-16-4-5-17(12-16)20(19)23;;/h2-3,6-11,16-17,19-20H,4-5,12-13,23H2,1H3,(H,25,27);2*1H.
What are the key properties of N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride?
N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride has a molecular weight of 451.40 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119887003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).