3-(aminomethyl)-1-(2,4-dimethylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C18H23N3O — CID 82189174

IUPAC3-(aminomethyl)-1-(2,4-dimethylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCc1ccc(-n2c3c(cc(CN)c2=O)CN(C)CC3)c(C)c1
InChIInChI=1S/C18H23N3O/c1-12-4-5-16(13(2)8-12)21-17-6-7-20(3)11-15(17)9-14(10-19)18(21)22/h4-5,8-9H,6-7,10-11,19H2,1-3H3
InChIKeyNKDSDXCCHAUZIS-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.90
Rot. Bonds2

About 3-(aminomethyl)-1-(2,4-dimethylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(aminomethyl)-1-(2,4-dimethylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82189174) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(2,4-dimethylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-(2,4-dimethylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82189174
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name3-(aminomethyl)-1-(2,4-dimethylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCc1ccc(-n2c3c(cc(CN)c2=O)CN(C)CC3)c(C)c1
InChIInChI=1S/C18H23N3O/c1-12-4-5-16(13(2)8-12)21-17-6-7-20(3)11-15(17)9-14(10-19)18(21)22/h4-5,8-9H,6-7,10-11,19H2,1-3H3
InChIKeyNKDSDXCCHAUZIS-UHFFFAOYSA-N
XLogP1.90
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(2,4-dimethylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-(2,4-dimethylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82189174) is 3-(aminomethyl)-1-(2,4-dimethylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-(2,4-dimethylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-(2,4-dimethylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is Cc1ccc(-n2c3c(cc(CN)c2=O)CN(C)CC3)c(C)c1.
What is the InChIKey of 3-(aminomethyl)-1-(2,4-dimethylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is NKDSDXCCHAUZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-4-5-16(13(2)8-12)21-17-6-7-20(3)11-15(17)9-14(10-19)18(21)22/h4-5,8-9H,6-7,10-11,19H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1-(2,4-dimethylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(aminomethyl)-1-(2,4-dimethylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 297.40 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(2,4-dimethylphenyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82189174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).