N-[4-(aminomethyl)phenyl]-1-hydroxy-6-methoxynaphthalene-2-carboxamide;hydrochloride

C19H19ClN2O3 — CID 155408662

IUPACN-[4-(aminomethyl)phenyl]-1-hydroxy-6-methoxynaphthalene-2-carboxamide;hydrochloride
SMILESCOc1ccc2c(O)c(C(=O)Nc3ccc(CN)cc3)ccc2c1.Cl
InChIInChI=1S/C19H18N2O3.ClH/c1-24-15-7-9-16-13(10-15)4-8-17(18(16)22)19(23)21-14-5-2-12(11-20)3-6-14;/h2-10,22H,11,20H2,1H3,(H,21,23);1H
InChIKeyFIHKGTSOGOIHCC-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.69
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-1-hydroxy-6-methoxynaphthalene-2-carboxamide;hydrochloride

N-[4-(aminomethyl)phenyl]-1-hydroxy-6-methoxynaphthalene-2-carboxamide;hydrochloride (PubChem CID 155408662) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-1-hydroxy-6-methoxynaphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-1-hydroxy-6-methoxynaphthalene-2-carboxamide;hydrochloride
PubChem CID155408662
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-[4-(aminomethyl)phenyl]-1-hydroxy-6-methoxynaphthalene-2-carboxamide;hydrochloride
SMILESCOc1ccc2c(O)c(C(=O)Nc3ccc(CN)cc3)ccc2c1.Cl
InChIInChI=1S/C19H18N2O3.ClH/c1-24-15-7-9-16-13(10-15)4-8-17(18(16)22)19(23)21-14-5-2-12(11-20)3-6-14;/h2-10,22H,11,20H2,1H3,(H,21,23);1H
InChIKeyFIHKGTSOGOIHCC-UHFFFAOYSA-N
XLogP3.69
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-1-hydroxy-6-methoxynaphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(aminomethyl)phenyl]-1-hydroxy-6-methoxynaphthalene-2-carboxamide;hydrochloride (CID 155408662) is N-[4-(aminomethyl)phenyl]-1-hydroxy-6-methoxynaphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-1-hydroxy-6-methoxynaphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-1-hydroxy-6-methoxynaphthalene-2-carboxamide;hydrochloride is COc1ccc2c(O)c(C(=O)Nc3ccc(CN)cc3)ccc2c1.Cl.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-1-hydroxy-6-methoxynaphthalene-2-carboxamide;hydrochloride?
The InChIKey is FIHKGTSOGOIHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3.ClH/c1-24-15-7-9-16-13(10-15)4-8-17(18(16)22)19(23)21-14-5-2-12(11-20)3-6-14;/h2-10,22H,11,20H2,1H3,(H,21,23);1H.
What are the key properties of N-[4-(aminomethyl)phenyl]-1-hydroxy-6-methoxynaphthalene-2-carboxamide;hydrochloride?
N-[4-(aminomethyl)phenyl]-1-hydroxy-6-methoxynaphthalene-2-carboxamide;hydrochloride has a molecular weight of 358.83 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-1-hydroxy-6-methoxynaphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 155408662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).