3-amino-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C14H23N3O — CID 82466787

IUPAC3-amino-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(C)CCn1c2c(cc(N)c1=O)CN(C)CC2
InChIInChI=1S/C14H23N3O/c1-10(2)4-7-17-13-5-6-16(3)9-11(13)8-12(15)14(17)18/h8,10H,4-7,9,15H2,1-3H3
InChIKeyDGBWZGQCRUFRQK-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.46
Rot. Bonds3

About 3-amino-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-amino-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82466787) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-amino-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-amino-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82466787
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-amino-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(C)CCn1c2c(cc(N)c1=O)CN(C)CC2
InChIInChI=1S/C14H23N3O/c1-10(2)4-7-17-13-5-6-16(3)9-11(13)8-12(15)14(17)18/h8,10H,4-7,9,15H2,1-3H3
InChIKeyDGBWZGQCRUFRQK-UHFFFAOYSA-N
XLogP1.46
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)acetamide
CID 59268968
3-Amino-1-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-6,7-dihydroquinolin-2-one
CID 123688124
3-amino-7-ethyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one
CID 18943505
3-Amino-1-butyl-5,6-dimethyl-2-pyridone
CID 22266463
3-Amino-1-butyl-5,6,7,8-tetrahydroquinolin-2-one
CID 22266485
3-Amino-1,5,6-trimethylpyridin-2-one
CID 23587878
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)prop-2-enamide
CID 66633193
6-Ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 71179285
3-Amino-1,6-dimethyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one
CID 82466778
3-amino-1-(2-methoxyethyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82466790
5-Amino-1-(2-methylpropyl)-2,3-dihydropyridin-6-one
CID 90225049
3-amino-7-propyl-5,6,8,9-tetrahydro-1H-pyrido[2,3-d]azepin-2-one
CID 130246155

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-amino-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82466787) is 3-amino-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-amino-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-amino-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is CC(C)CCn1c2c(cc(N)c1=O)CN(C)CC2.
What is the InChIKey of 3-amino-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is DGBWZGQCRUFRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)4-7-17-13-5-6-16(3)9-11(13)8-12(15)14(17)18/h8,10H,4-7,9,15H2,1-3H3.
What are the key properties of 3-amino-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-amino-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 249.36 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82466787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).