1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one

C13H17N3O — CID 139622360

IUPAC1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one
SMILESCc1cc2cccnc2n(NC(C)(C)C)c1=O
InChIInChI=1S/C13H17N3O/c1-9-8-10-6-5-7-14-11(10)16(12(9)17)15-13(2,3)4/h5-8,15H,1-4H3
InChIKeyJFDOWEVXZLQFRP-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.05
Rot. Bonds1

About 1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one

1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one (PubChem CID 139622360) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one
PubChem CID139622360
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one
SMILESCc1cc2cccnc2n(NC(C)(C)C)c1=O
InChIInChI=1S/C13H17N3O/c1-9-8-10-6-5-7-14-11(10)16(12(9)17)15-13(2,3)4/h5-8,15H,1-4H3
InChIKeyJFDOWEVXZLQFRP-UHFFFAOYSA-N
XLogP2.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
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-(butan-2-ylamino)-3-methyl-1,8-naphthyridin-2-one
CID 139622650
3-methyl-1-(3-methylthiophen-2-yl)-1,8-naphthyridin-2-one
CID 21284349
lithium 1-tert-butylpyrrolo[2,3-b]pyridin-2-olate
CID 156675221
2-methyl-1-oxidopyrrolo[2,3-b]pyridine
CID 142719673
N-ethyl-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619354
4-tert-butyl-2-chloropyrido[2,3-b]pyrazin-3-one
CID 164662772
1-(1-hydroxyethylamino)-1,8-naphthyridin-2-one
CID 139622714
3-(2-methylphenyl)-1-propyl-1,8-naphthyridin-2-one
CID 139602502
2,4-dimethylpyrido[2,3-b]pyrazin-3-one;ethane
CID 90706892
1-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,8-naphthyridine-3-carboxamide
CID 7619432
3-ethyl-1-(hydroxymethylamino)-1,8-naphthyridine-2-thione
CID 139622430
1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one
CID 139602401

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one (CID 139622360) is 1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one is Cc1cc2cccnc2n(NC(C)(C)C)c1=O.
What is the InChIKey of 1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one?
The InChIKey is JFDOWEVXZLQFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-8-10-6-5-7-14-11(10)16(12(9)17)15-13(2,3)4/h5-8,15H,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one?
1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one has a molecular weight of 231.30 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 139622360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).