2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,6-naphthyridin-6-ium-5-amine

C29H28N5+ — CID 123565191

IUPAC2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,6-naphthyridin-6-ium-5-amine
SMILESCN(CCc1ccncc1)c1[nH+]ccc2nc(-c3ccc(CN)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C29H27N5/c1-34(18-14-21-11-15-31-16-12-21)29-26-19-25(23-5-3-2-4-6-23)28(33-27(26)13-17-32-29)24-9-7-22(20-30)8-10-24/h2-13,15-17,19H,14,18,20,30H2,1H3/p+1
InChIKeyLYAFZCWGTCEXSH-UHFFFAOYSA-O
MW446.58 g/mol
LogP4.92
Rot. Bonds7

About 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,6-naphthyridin-6-ium-5-amine

2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,6-naphthyridin-6-ium-5-amine (PubChem CID 123565191) has the molecular formula C29H28N5+ and a molecular weight of 446.58 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,6-naphthyridin-6-ium-5-amine.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,6-naphthyridin-6-ium-5-amine
PubChem CID123565191
Molecular FormulaC29H28N5+
Molecular Weight446.58 g/mol
Exact Mass446.23
IUPAC Name2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,6-naphthyridin-6-ium-5-amine
SMILESCN(CCc1ccncc1)c1[nH+]ccc2nc(-c3ccc(CN)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C29H27N5/c1-34(18-14-21-11-15-31-16-12-21)29-26-19-25(23-5-3-2-4-6-23)28(33-27(26)13-17-32-29)24-9-7-22(20-30)8-10-24/h2-13,15-17,19H,14,18,20,30H2,1H3/p+1
InChIKeyLYAFZCWGTCEXSH-UHFFFAOYSA-O
XLogP4.92
TPSA69.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.58
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,6-naphthyridin-6-ium-5-amine with MolForge

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Related Compounds

[4-[3-phenyl-5-(2-pyridin-4-ylethoxy)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine
CID 123330866
[4-[3-phenyl-5-(1H-pyrrol-3-yl)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine
CID 123342200
[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029
[4-[3-phenyl-5-[(pyridin-4-ylmethylamino)methyl]-1,6-naphthyridin-2-yl]phenyl]methanamine;trihydrochloride
CID 173038240
[4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride
CID 173038267
[4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine
CID 123711082
[4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride
CID 86659519
4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline
CID 58524482
[4-[3-phenyl-5-(3-pyridin-1-ium-2-ylpropoxy)-1,6-naphthyridin-2-yl]phenyl]methanamine;chloride;hydrochloride
CID 173038250
N'-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethane-1,2-diamine
CID 58524469
3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 62969270
2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide
CID 53251563

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,6-naphthyridin-6-ium-5-amine?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,6-naphthyridin-6-ium-5-amine (CID 123565191) is 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,6-naphthyridin-6-ium-5-amine.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,6-naphthyridin-6-ium-5-amine?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,6-naphthyridin-6-ium-5-amine is CN(CCc1ccncc1)c1[nH+]ccc2nc(-c3ccc(CN)cc3)c(-c3ccccc3)cc12.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,6-naphthyridin-6-ium-5-amine?
The InChIKey is LYAFZCWGTCEXSH-UHFFFAOYSA-O. The full InChI is InChI=1S/C29H27N5/c1-34(18-14-21-11-15-31-16-12-21)29-26-19-25(23-5-3-2-4-6-23)28(33-27(26)13-17-32-29)24-9-7-22(20-30)8-10-24/h2-13,15-17,19H,14,18,20,30H2,1H3/p+1.
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,6-naphthyridin-6-ium-5-amine?
2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,6-naphthyridin-6-ium-5-amine has a molecular weight of 446.58 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,6-naphthyridin-6-ium-5-amine is sourced from PubChem (CID 123565191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).