(1-methylpyrrolidin-2-yl)-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

C17H25N3O — CID 142358596

IUPAC(1-methylpyrrolidin-2-yl)-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESCC(C)c1ccc2c(n1)CCN(C(=O)C1CCCN1C)C2
InChIInChI=1S/C17H25N3O/c1-12(2)14-7-6-13-11-20(10-8-15(13)18-14)17(21)16-5-4-9-19(16)3/h6-7,12,16H,4-5,8-11H2,1-3H3
InChIKeyTYEFLDVORFCWFJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.18
Rot. Bonds2

About (1-methylpyrrolidin-2-yl)-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone

(1-methylpyrrolidin-2-yl)-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (PubChem CID 142358596) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (1-methylpyrrolidin-2-yl)-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrrolidin-2-yl)-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
PubChem CID142358596
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(1-methylpyrrolidin-2-yl)-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
SMILESCC(C)c1ccc2c(n1)CCN(C(=O)C1CCCN1C)C2
InChIInChI=1S/C17H25N3O/c1-12(2)14-7-6-13-11-20(10-8-15(13)18-14)17(21)16-5-4-9-19(16)3/h6-7,12,16H,4-5,8-11H2,1-3H3
InChIKeyTYEFLDVORFCWFJ-UHFFFAOYSA-N
XLogP2.18
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-azetidin-2-yl]-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 134555294
2-hydroxy-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 163544536
2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 134555329
1-[2-[4-[(2S,4R)-4-hydroxy-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-1-yl]butan-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylethanone
CID 134555323
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 134555308
[2-[[8-(7-azabicyclo[2.2.1]heptan-7-yl)-6-(1-hydroxyethyl)pyrido[3,4-d]pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[(2S)-1-methylpiperidin-2-yl]methanone
CID 139529351
[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 146127363
[2-[[8-(7-azabicyclo[2.2.1]heptan-7-yl)-6-[(1R)-1-hydroxyethyl]pyrido[3,4-d]pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-[(2R)-1-methylazetidin-2-yl]methanone
CID 139529401
4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 124680303
1-(2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-7-yl)prop-2-en-1-one
CID 176827651
1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 139539068
(2R)-2-(4-methylphenyl)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92556623

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrolidin-2-yl)-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The IUPAC name of (1-methylpyrrolidin-2-yl)-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone (CID 142358596) is (1-methylpyrrolidin-2-yl)-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone.
What is the SMILES notation for (1-methylpyrrolidin-2-yl)-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The canonical SMILES for (1-methylpyrrolidin-2-yl)-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is CC(C)c1ccc2c(n1)CCN(C(=O)C1CCCN1C)C2.
What is the InChIKey of (1-methylpyrrolidin-2-yl)-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
The InChIKey is TYEFLDVORFCWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(2)14-7-6-13-11-20(10-8-15(13)18-14)17(21)16-5-4-9-19(16)3/h6-7,12,16H,4-5,8-11H2,1-3H3.
What are the key properties of (1-methylpyrrolidin-2-yl)-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone?
(1-methylpyrrolidin-2-yl)-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone has a molecular weight of 287.41 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-2-yl)-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone is sourced from PubChem (CID 142358596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).