1-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one

C13H17N3O — CID 139622650

IUPAC1-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one
SMILESCCC(C)Nn1c(=O)c(C)cc2cccnc21
InChIInChI=1S/C13H17N3O/c1-4-10(3)15-16-12-11(6-5-7-14-12)8-9(2)13(16)17/h5-8,10,15H,4H2,1-3H3
InChIKeyPOIKAYXMOQZXQA-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.05
Rot. Bonds3

About 1-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one

1-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one (PubChem CID 139622650) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one
PubChem CID139622650
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one
SMILESCCC(C)Nn1c(=O)c(C)cc2cccnc21
InChIInChI=1S/C13H17N3O/c1-4-10(3)15-16-12-11(6-5-7-14-12)8-9(2)13(16)17/h5-8,10,15H,4H2,1-3H3
InChIKeyPOIKAYXMOQZXQA-UHFFFAOYSA-N
XLogP2.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one
CID 139622360
1-(1-hydroxyethylamino)-1,8-naphthyridin-2-one
CID 139622714
N-butan-2-yl-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996260
3-methyl-1-(3-methylthiophen-2-yl)-1,8-naphthyridin-2-one
CID 21284349
1-(2-methylpropylamino)-3-propyl-1,8-naphthyridine-2-thione
CID 139622389
N-ethyl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619354
1-(3-methylbutylamino)-1,8-naphthyridin-2-one
CID 139622712
N-butan-2-yl-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53016720
3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one
CID 139602502
N-ethyl-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619463
3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione
CID 139622430
N-methyl-1-(2-methylpyrrolo[2,3-b]pyridin-1-yl)ethanamine
CID 117223887

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 1-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one (CID 139622650) is 1-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one is CCC(C)Nn1c(=O)c(C)cc2cccnc21.
What is the InChIKey of 1-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one?
The InChIKey is POIKAYXMOQZXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-10(3)15-16-12-11(6-5-7-14-12)8-9(2)13(16)17/h5-8,10,15H,4H2,1-3H3.
What are the key properties of 1-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one?
1-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one has a molecular weight of 231.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 139622650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).