2-[4-(1-aminopropyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one

C23H21N3O — CID 46865724

IUPAC2-[4-(1-aminopropyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
SMILESCCC(N)c1ccc(-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C23H21N3O/c1-2-20(24)16-8-10-17(11-9-16)22-18(15-6-4-3-5-7-15)14-19-21(26-22)12-13-25-23(19)27/h3-14,20H,2,24H2,1H3,(H,25,27)
InChIKeyPJXYTIOSAOTBDK-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.67
Rot. Bonds4

About 2-[4-(1-aminopropyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one

2-[4-(1-aminopropyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one (PubChem CID 46865724) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[4-(1-aminopropyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-[4-(1-aminopropyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
PubChem CID46865724
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name2-[4-(1-aminopropyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
SMILESCCC(N)c1ccc(-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C23H21N3O/c1-2-20(24)16-8-10-17(11-9-16)22-18(15-6-4-3-5-7-15)14-19-21(26-22)12-13-25-23(19)27/h3-14,20H,2,24H2,1H3,(H,25,27)
InChIKeyPJXYTIOSAOTBDK-UHFFFAOYSA-N
XLogP4.67
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-1-[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]propyl]azanium
CID 58524517
2-[4-[(4-ethenylsulfanylpiperazin-1-yl)methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
CID 177349423
3-phenyl-2-[4-[(4-prop-2-enoylpiperazin-1-yl)methyl]phenyl]-6H-1,6-naphthyridin-5-one
CID 177349433
2-[4-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-ylmethyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
CID 143309013
3-phenyl-2-[4-[[3-(triazol-1-yl)propylamino]methyl]phenyl]-6H-1,6-naphthyridin-5-one
CID 11719060
2-[4-[[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
CID 11555530
2-[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
CID 91347562
2-[4-[[2-[(5-nitro-2-pyridinyl)amino]ethylamino]methyl]phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one
CID 11554977
1-[(3R)-1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]pyrrolidin-3-yl]-3-phenylurea
CID 59846146
2,2,2-trifluoro-N-[1-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-2H-pyridin-3-yl]acetamide
CID 87251881
(1R)-1-[4-(5-chloro-3-phenyl-1,6-naphthyridin-2-yl)phenyl]ethanamine
CID 58524476
4-[4-[[4-(5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl)phenyl]methyl]-1,4-diazepan-1-yl]pyrimidine-2-carbonitrile
CID 177349912

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminopropyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-[4-(1-aminopropyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one (CID 46865724) is 2-[4-(1-aminopropyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-[4-(1-aminopropyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-[4-(1-aminopropyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one is CCC(N)c1ccc(-c2nc3cc[nH]c(=O)c3cc2-c2ccccc2)cc1.
What is the InChIKey of 2-[4-(1-aminopropyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one?
The InChIKey is PJXYTIOSAOTBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-2-20(24)16-8-10-17(11-9-16)22-18(15-6-4-3-5-7-15)14-19-21(26-22)12-13-25-23(19)27/h3-14,20H,2,24H2,1H3,(H,25,27).
What are the key properties of 2-[4-(1-aminopropyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one?
2-[4-(1-aminopropyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one has a molecular weight of 355.44 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminopropyl)phenyl]-3-phenyl-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 46865724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).