2-amino-3-cyclopropyl-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one

C14H19N3O — CID 112735249

IUPAC2-amino-3-cyclopropyl-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
SMILESNC(CC1CC1)C(=O)N1CCc2ncccc2C1
InChIInChI=1S/C14H19N3O/c15-12(8-10-3-4-10)14(18)17-7-5-13-11(9-17)2-1-6-16-13/h1-2,6,10,12H,3-5,7-9,15H2
InChIKeyZCDMLWWUJVEVHX-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.09
Rot. Bonds3

About 2-amino-3-cyclopropyl-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one

2-amino-3-cyclopropyl-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one (PubChem CID 112735249) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-amino-3-cyclopropyl-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-cyclopropyl-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
PubChem CID112735249
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-amino-3-cyclopropyl-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
SMILESNC(CC1CC1)C(=O)N1CCc2ncccc2C1
InChIInChI=1S/C14H19N3O/c15-12(8-10-3-4-10)14(18)17-7-5-13-11(9-17)2-1-6-16-13/h1-2,6,10,12H,3-5,7-9,15H2
InChIKeyZCDMLWWUJVEVHX-UHFFFAOYSA-N
XLogP1.09
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one
CID 93342682
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methylpropan-1-one
CID 64591291
3-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methylpropan-1-one
CID 62670516
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-piperidin-4-ylethanone
CID 54910538
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 72884084
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79195947
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 64591824
7-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)heptan-1-one
CID 60862584
3-chloro-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2,2-dimethylpropan-1-one
CID 63680928
N,N-dimethyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 175128670
(3-amino-2-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 104741429
1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-methoxyethanone
CID 64592092

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclopropyl-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one?
The IUPAC name of 2-amino-3-cyclopropyl-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one (CID 112735249) is 2-amino-3-cyclopropyl-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one.
What is the SMILES notation for 2-amino-3-cyclopropyl-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one?
The canonical SMILES for 2-amino-3-cyclopropyl-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one is NC(CC1CC1)C(=O)N1CCc2ncccc2C1.
What is the InChIKey of 2-amino-3-cyclopropyl-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one?
The InChIKey is ZCDMLWWUJVEVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-12(8-10-3-4-10)14(18)17-7-5-13-11(9-17)2-1-6-16-13/h1-2,6,10,12H,3-5,7-9,15H2.
What are the key properties of 2-amino-3-cyclopropyl-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one?
2-amino-3-cyclopropyl-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one has a molecular weight of 245.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclopropyl-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one is sourced from PubChem (CID 112735249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).