4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride

C22H28Cl2N4O3 — CID 119893224

IUPAC4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride
SMILESCNC(=O)c1cc(Oc2cc(NC(=O)C3C4CCC(C4)C3N)ccc2C)ccn1.Cl.Cl
InChIInChI=1S/C22H26N4O3.2ClH/c1-12-3-6-15(26-22(28)19-13-4-5-14(9-13)20(19)23)10-18(12)29-16-7-8-25-17(11-16)21(27)24-2;;/h3,6-8,10-11,13-14,19-20H,4-5,9,23H2,1-2H3,(H,24,27)(H,26,28);2*1H
InChIKeySPPONJRCGHPEEI-UHFFFAOYSA-N
MW467.40 g/mol
LogP3.70
Rot. Bonds5

About 4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride

4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride (PubChem CID 119893224) has the molecular formula C22H28Cl2N4O3 and a molecular weight of 467.40 g/mol. Its IUPAC name is 4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride
PubChem CID119893224
Molecular FormulaC22H28Cl2N4O3
Molecular Weight467.40 g/mol
Exact Mass466.15
IUPAC Name4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride
SMILESCNC(=O)c1cc(Oc2cc(NC(=O)C3C4CCC(C4)C3N)ccc2C)ccn1.Cl.Cl
InChIInChI=1S/C22H26N4O3.2ClH/c1-12-3-6-15(26-22(28)19-13-4-5-14(9-13)20(19)23)10-18(12)29-16-7-8-25-17(11-16)21(27)24-2;;/h3,6-8,10-11,13-14,19-20H,4-5,9,23H2,1-2H3,(H,24,27)(H,26,28);2*1H
InChIKeySPPONJRCGHPEEI-UHFFFAOYSA-N
XLogP3.70
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.40
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893225
4-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893223
N-methyl-4-[2-methyl-5-(pyrrolidine-3-carbonylamino)phenoxy]pyridine-2-carboxamide
CID 119893257
N-methyl-4-[2-methyl-5-[[(2R)-piperidine-2-carbonyl]amino]phenoxy]pyridine-2-carboxamide;dihydrochloride
CID 119893208
4-(5-hydrazinyl-2-methylphenoxy)-N-methylpyridine-2-carboxamide
CID 86069287
4-[5-[(1-aminocyclopropanecarbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893205
N-methyl-4-[2-methyl-5-[(2-pyrrolidin-2-ylacetyl)amino]phenoxy]pyridine-2-carboxamide;dihydrochloride
CID 119893250
4-[5-(4-aminobutanoylamino)-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 119893255
3-amino-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119671159
4-(4-cyclopropyl-2-methylphenoxy)-N-methylpyridine-2-carboxamide
CID 154794734
N-methyl-4-[2-methyl-4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 142963034
3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119711249

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride?
The IUPAC name of 4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride (CID 119893224) is 4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for 4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride is CNC(=O)c1cc(Oc2cc(NC(=O)C3C4CCC(C4)C3N)ccc2C)ccn1.Cl.Cl.
What is the InChIKey of 4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride?
The InChIKey is SPPONJRCGHPEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3.2ClH/c1-12-3-6-15(26-22(28)19-13-4-5-14(9-13)20(19)23)10-18(12)29-16-7-8-25-17(11-16)21(27)24-2;;/h3,6-8,10-11,13-14,19-20H,4-5,9,23H2,1-2H3,(H,24,27)(H,26,28);2*1H.
What are the key properties of 4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride?
4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride has a molecular weight of 467.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]-2-methylphenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119893224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).