1-(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone

C10H13N3O — CID 105444993

IUPAC1-(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone
SMILESCC(=O)c1cc2c(nc1N)CCNC2
InChIInChI=1S/C10H13N3O/c1-6(14)8-4-7-5-12-3-2-9(7)13-10(8)11/h4,12H,2-3,5H2,1H3,(H2,11,13)
InChIKeyALQLXFKLWMWZGK-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.51
Rot. Bonds1

About 1-(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone

1-(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone (PubChem CID 105444993) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone
PubChem CID105444993
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone
SMILESCC(=O)c1cc2c(nc1N)CCNC2
InChIInChI=1S/C10H13N3O/c1-6(14)8-4-7-5-12-3-2-9(7)13-10(8)11/h4,12H,2-3,5H2,1H3,(H2,11,13)
InChIKeyALQLXFKLWMWZGK-UHFFFAOYSA-N
XLogP0.51
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone
CID 105464586
(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-pyrrolidin-1-ylmethanone
CID 73439193
1-(2-amino-5,6,8,9-tetrahydrooxepino[4,5-b]pyridin-3-yl)ethanone
CID 105458713
1-(2-amino-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone
CID 105446020
1-(2-amino-6,8-dihydro-5H-pyrano[3,4-b]pyridin-3-yl)ethanone
CID 105446019
1-(2-amino-7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)ethanone
CID 105493357
methyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate
CID 141442013
ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate;hydrochloride
CID 68822583
2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 5149881
2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 83568678
1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine
CID 13193877
(2-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)methanol
CID 117274631

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone?
The IUPAC name of 1-(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone (CID 105444993) is 1-(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone.
What is the SMILES notation for 1-(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone?
The canonical SMILES for 1-(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone is CC(=O)c1cc2c(nc1N)CCNC2.
What is the InChIKey of 1-(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone?
The InChIKey is ALQLXFKLWMWZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-6(14)8-4-7-5-12-3-2-9(7)13-10(8)11/h4,12H,2-3,5H2,1H3,(H2,11,13).
What are the key properties of 1-(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone?
1-(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone has a molecular weight of 191.23 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone is sourced from PubChem (CID 105444993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).