3-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide;dihydrochloride

C30H35Cl2N3O2 — CID 69447891

IUPAC3-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide;dihydrochloride
SMILESCc1ccc(-c2c(COc3cc4ccccc4cc3C(N)=O)c(C)nc(CC(C)C)c2CN)cc1.Cl.Cl
InChIInChI=1S/C30H33N3O2.2ClH/c1-18(2)13-27-25(16-31)29(21-11-9-19(3)10-12-21)26(20(4)33-27)17-35-28-15-23-8-6-5-7-22(23)14-24(28)30(32)34;;/h5-12,14-15,18H,13,16-17,31H2,1-4H3,(H2,32,34);2*1H
InChIKeyZIODBEBDYNSDNK-UHFFFAOYSA-N
MW540.54 g/mol
LogP6.70
Rot. Bonds8

About 3-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide;dihydrochloride

3-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide;dihydrochloride (PubChem CID 69447891) has the molecular formula C30H35Cl2N3O2 and a molecular weight of 540.54 g/mol. Its IUPAC name is 3-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide;dihydrochloride
PubChem CID69447891
Molecular FormulaC30H35Cl2N3O2
Molecular Weight540.54 g/mol
Exact Mass539.21
IUPAC Name3-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide;dihydrochloride
SMILESCc1ccc(-c2c(COc3cc4ccccc4cc3C(N)=O)c(C)nc(CC(C)C)c2CN)cc1.Cl.Cl
InChIInChI=1S/C30H33N3O2.2ClH/c1-18(2)13-27-25(16-31)29(21-11-9-19(3)10-12-21)26(20(4)33-27)17-35-28-15-23-8-6-5-7-22(23)14-24(28)30(32)34;;/h5-12,14-15,18H,13,16-17,31H2,1-4H3,(H2,32,34);2*1H
InChIKeyZIODBEBDYNSDNK-UHFFFAOYSA-N
XLogP6.70
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.54
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

4-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]benzene-1,3-dicarboxylic acid
CID 69444528
4-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]-2,3-dimethylbenzoic acid
CID 142756043
2-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]-3,4,5-trimethylbenzoic acid
CID 142756096
3-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]-2,4-dimethylbenzoic acid;hydrochloride
CID 142756071
methyl 2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetate;dihydrochloride
CID 90664828
2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetic acid;dihydrochloride
CID 68828690
4-methoxy-2-[[2-methyl-4-(4-methylphenyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-6-(2-methylpropyl)-3-pyridinyl]methoxy]benzoic acid
CID 69446450
2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide
CID 91246603
[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methylsulfonyl acetate
CID 91328858
5-(aminomethyl)-4-(4-methoxyphenyl)-2-methyl-6-(2-methylpropyl)pyridine-3-carboxylic acid
CID 69447085
N-[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]-2,5-dimethylfuran-3-carboxamide
CID 69444483
[6-methyl-4-(4-methylphenyl)-2-(2-methylpropyl)-5-[(2-methylsulfinylphenoxy)methyl]-3-pyridinyl]methyl N-tert-butylcarbamate
CID 91014051

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide;dihydrochloride?
The IUPAC name of 3-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide;dihydrochloride (CID 69447891) is 3-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide;dihydrochloride.
What is the SMILES notation for 3-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide;dihydrochloride?
The canonical SMILES for 3-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide;dihydrochloride is Cc1ccc(-c2c(COc3cc4ccccc4cc3C(N)=O)c(C)nc(CC(C)C)c2CN)cc1.Cl.Cl.
What is the InChIKey of 3-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide;dihydrochloride?
The InChIKey is ZIODBEBDYNSDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2.2ClH/c1-18(2)13-27-25(16-31)29(21-11-9-19(3)10-12-21)26(20(4)33-27)17-35-28-15-23-8-6-5-7-22(23)14-24(28)30(32)34;;/h5-12,14-15,18H,13,16-17,31H2,1-4H3,(H2,32,34);2*1H.
What are the key properties of 3-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide;dihydrochloride?
3-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide;dihydrochloride has a molecular weight of 540.54 g/mol, XLogP of 6.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)-3-pyridinyl]methoxy]naphthalene-2-carboxamide;dihydrochloride is sourced from PubChem (CID 69447891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).