[4-[3-phenyl-5-(1H-pyrrol-3-yl)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine

C25H21N4+ — CID 123342200

IUPAC[4-[3-phenyl-5-(1H-pyrrol-3-yl)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc3cc[nH+]c(-c4cc[nH]c4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C25H20N4/c26-15-17-6-8-19(9-7-17)25-21(18-4-2-1-3-5-18)14-22-23(29-25)11-13-28-24(22)20-10-12-27-16-20/h1-14,16,27H,15,26H2/p+1
InChIKeyHWAQVFKSFPXPGY-UHFFFAOYSA-O
MW377.47 g/mol
LogP4.84
Rot. Bonds4

About [4-[3-phenyl-5-(1H-pyrrol-3-yl)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine

[4-[3-phenyl-5-(1H-pyrrol-3-yl)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine (PubChem CID 123342200) has the molecular formula C25H21N4+ and a molecular weight of 377.47 g/mol. Its IUPAC name is [4-[3-phenyl-5-(1H-pyrrol-3-yl)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-phenyl-5-(1H-pyrrol-3-yl)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine
PubChem CID123342200
Molecular FormulaC25H21N4+
Molecular Weight377.47 g/mol
Exact Mass377.18
IUPAC Name[4-[3-phenyl-5-(1H-pyrrol-3-yl)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc3cc[nH+]c(-c4cc[nH]c4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C25H20N4/c26-15-17-6-8-19(9-7-17)25-21(18-4-2-1-3-5-18)14-22-23(29-25)11-13-28-24(22)20-10-12-27-16-20/h1-14,16,27H,15,26H2/p+1
InChIKeyHWAQVFKSFPXPGY-UHFFFAOYSA-O
XLogP4.84
TPSA68.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3,5-diphenyl-1,6-naphthyridin-6-ium-2-yl)phenyl]methylazanium dichloride
CID 86659519
[4-[3-phenyl-5-(2-pyridin-4-ylethoxy)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine
CID 123330866
[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029
2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-N-(2-pyridin-4-ylethyl)-1,6-naphthyridin-6-ium-5-amine
CID 123565191
[4-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-6-ium-5-yl]morpholin-2-yl]methanol
CID 123980757
[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
[4-(3-phenyl-5-pyrimidin-1-ium-5-yl-1,6-naphthyridin-2-yl)phenyl]methanamine
CID 123711082
[4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride
CID 173038267
(4-phenanthridin-6-ylphenyl)methanamine
CID 174909278
4-[2-[2-[4-(aminomethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]ethyl]aniline
CID 58524482
[4-[5-(2-hydroxyethylamino)-3-phenyl-1,6-naphthyridin-6-ium-2-yl]phenyl]methylazanium dichloride
CID 87232721

Frequently Asked Questions

What is the IUPAC name of [4-[3-phenyl-5-(1H-pyrrol-3-yl)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine?
The IUPAC name of [4-[3-phenyl-5-(1H-pyrrol-3-yl)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine (CID 123342200) is [4-[3-phenyl-5-(1H-pyrrol-3-yl)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine.
What is the SMILES notation for [4-[3-phenyl-5-(1H-pyrrol-3-yl)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine?
The canonical SMILES for [4-[3-phenyl-5-(1H-pyrrol-3-yl)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine is NCc1ccc(-c2nc3cc[nH+]c(-c4cc[nH]c4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-[3-phenyl-5-(1H-pyrrol-3-yl)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine?
The InChIKey is HWAQVFKSFPXPGY-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H20N4/c26-15-17-6-8-19(9-7-17)25-21(18-4-2-1-3-5-18)14-22-23(29-25)11-13-28-24(22)20-10-12-27-16-20/h1-14,16,27H,15,26H2/p+1.
What are the key properties of [4-[3-phenyl-5-(1H-pyrrol-3-yl)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine?
[4-[3-phenyl-5-(1H-pyrrol-3-yl)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine has a molecular weight of 377.47 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-phenyl-5-(1H-pyrrol-3-yl)-1,6-naphthyridin-6-ium-2-yl]phenyl]methanamine is sourced from PubChem (CID 123342200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).