1-(3-methylbutylamino)-1,8-naphthyridin-2-one

C13H17N3O — CID 139622712

IUPAC1-(3-methylbutylamino)-1,8-naphthyridin-2-one
SMILESCC(C)CCNn1c(=O)ccc2cccnc21
InChIInChI=1S/C13H17N3O/c1-10(2)7-9-15-16-12(17)6-5-11-4-3-8-14-13(11)16/h3-6,8,10,15H,7,9H2,1-2H3
InChIKeyWLXSNIBORIOHJX-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.99
Rot. Bonds4

About 1-(3-methylbutylamino)-1,8-naphthyridin-2-one

1-(3-methylbutylamino)-1,8-naphthyridin-2-one (PubChem CID 139622712) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(3-methylbutylamino)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(3-methylbutylamino)-1,8-naphthyridin-2-one
PubChem CID139622712
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(3-methylbutylamino)-1,8-naphthyridin-2-one
SMILESCC(C)CCNn1c(=O)ccc2cccnc21
InChIInChI=1S/C13H17N3O/c1-10(2)7-9-15-16-12(17)6-5-11-4-3-8-14-13(11)16/h3-6,8,10,15H,7,9H2,1-2H3
InChIKeyWLXSNIBORIOHJX-UHFFFAOYSA-N
XLogP1.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(hydroxymethylamino)-1,8-naphthyridin-2-one
CID 139622666
1-(1-hydroxyethylamino)-1,8-naphthyridin-2-one
CID 139622714
1-chloro-1,8-naphthyridin-2-one
CID 154368261
1-(1-hydroxyethylamino)-1,8-naphthyridine-2-thione
CID 139622317
1-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one
CID 139622650
N-ethylpyrrolo[2,3-b]pyridin-1-amine
CID 10419482
N-methyl-1-pyrrolo[2,3-b]pyridin-1-ylpropan-2-amine
CID 117223827
1-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione
CID 139622389
2-ethoxy-N-(3-methylbutyl)imidazo[4,5-b]pyridine-3-carboxamide
CID 156708040
3-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 60960877
1-[(2,6-dichlorophenyl)methylamino]-1,8-naphthyridine-2-thione
CID 139622393
N-(2-sulfanylidene-1,8-naphthyridin-1-yl)pentanamide
CID 139622345

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutylamino)-1,8-naphthyridin-2-one?
The IUPAC name of 1-(3-methylbutylamino)-1,8-naphthyridin-2-one (CID 139622712) is 1-(3-methylbutylamino)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(3-methylbutylamino)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(3-methylbutylamino)-1,8-naphthyridin-2-one is CC(C)CCNn1c(=O)ccc2cccnc21.
What is the InChIKey of 1-(3-methylbutylamino)-1,8-naphthyridin-2-one?
The InChIKey is WLXSNIBORIOHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-10(2)7-9-15-16-12(17)6-5-11-4-3-8-14-13(11)16/h3-6,8,10,15H,7,9H2,1-2H3.
What are the key properties of 1-(3-methylbutylamino)-1,8-naphthyridin-2-one?
1-(3-methylbutylamino)-1,8-naphthyridin-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutylamino)-1,8-naphthyridin-2-one is sourced from PubChem (CID 139622712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).