2-[4-(aminomethyl)phenyl]-3-phenyl-8-pyridin-3-yl-6H-1,6-naphthyridin-5-one

C26H20N4O — CID 58524399

IUPAC2-[4-(aminomethyl)phenyl]-3-phenyl-8-pyridin-3-yl-6H-1,6-naphthyridin-5-one
SMILESNCc1ccc(-c2nc3c(-c4cccnc4)c[nH]c(=O)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C26H20N4O/c27-14-17-8-10-19(11-9-17)24-21(18-5-2-1-3-6-18)13-22-25(30-24)23(16-29-26(22)31)20-7-4-12-28-15-20/h1-13,15-16H,14,27H2,(H,29,31)
InChIKeyVXUJHGPGEMWPBJ-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.78
Rot. Bonds4

About 2-[4-(aminomethyl)phenyl]-3-phenyl-8-pyridin-3-yl-6H-1,6-naphthyridin-5-one

2-[4-(aminomethyl)phenyl]-3-phenyl-8-pyridin-3-yl-6H-1,6-naphthyridin-5-one (PubChem CID 58524399) has the molecular formula C26H20N4O and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-3-phenyl-8-pyridin-3-yl-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-3-phenyl-8-pyridin-3-yl-6H-1,6-naphthyridin-5-one
PubChem CID58524399
Molecular FormulaC26H20N4O
Molecular Weight404.47 g/mol
Exact Mass404.16
IUPAC Name2-[4-(aminomethyl)phenyl]-3-phenyl-8-pyridin-3-yl-6H-1,6-naphthyridin-5-one
SMILESNCc1ccc(-c2nc3c(-c4cccnc4)c[nH]c(=O)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C26H20N4O/c27-14-17-8-10-19(11-9-17)24-21(18-5-2-1-3-6-18)13-22-25(30-24)23(16-29-26(22)31)20-7-4-12-28-15-20/h1-13,15-16H,14,27H2,(H,29,31)
InChIKeyVXUJHGPGEMWPBJ-UHFFFAOYSA-N
XLogP4.78
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride
CID 173037997
3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide
CID 58524283
2-[4-(aminomethyl)phenyl]-8-(4-methylthiophen-3-yl)-3-phenyl-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
CID 171929567
2-[4-(aminomethyl)phenyl]-3-phenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
CID 171928748
[4-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524555
[4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524164
[4-[8-(3-ethoxyphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524504
[4-[8-(3-methylsulfonylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524679
8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
CID 173038170
2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one
CID 173110698
8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
CID 173038098
[4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524717

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-3-phenyl-8-pyridin-3-yl-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-3-phenyl-8-pyridin-3-yl-6H-1,6-naphthyridin-5-one (CID 58524399) is 2-[4-(aminomethyl)phenyl]-3-phenyl-8-pyridin-3-yl-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-3-phenyl-8-pyridin-3-yl-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-3-phenyl-8-pyridin-3-yl-6H-1,6-naphthyridin-5-one is NCc1ccc(-c2nc3c(-c4cccnc4)c[nH]c(=O)c3cc2-c2ccccc2)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-3-phenyl-8-pyridin-3-yl-6H-1,6-naphthyridin-5-one?
The InChIKey is VXUJHGPGEMWPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O/c27-14-17-8-10-19(11-9-17)24-21(18-5-2-1-3-6-18)13-22-25(30-24)23(16-29-26(22)31)20-7-4-12-28-15-20/h1-13,15-16H,14,27H2,(H,29,31).
What are the key properties of 2-[4-(aminomethyl)phenyl]-3-phenyl-8-pyridin-3-yl-6H-1,6-naphthyridin-5-one?
2-[4-(aminomethyl)phenyl]-3-phenyl-8-pyridin-3-yl-6H-1,6-naphthyridin-5-one has a molecular weight of 404.47 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-3-phenyl-8-pyridin-3-yl-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 58524399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).