1-[5-(7-amino-8-methanimidoyl-2,6-naphthyridin-3-yl)-4-methyl-1,2-dihydropyridin-2-yl]propan-1-one

C18H19N5O — CID 171555879

IUPAC1-[5-(7-amino-8-methanimidoyl-2,6-naphthyridin-3-yl)-4-methyl-1,2-dihydropyridin-2-yl]propan-1-one
SMILES[H]/N=C/c1c(N)ncc2cc(C3=CNC(C(=O)CC)C=C3C)ncc12
InChIInChI=1S/C18H19N5O/c1-3-17(24)16-4-10(2)13(8-22-16)15-5-11-7-23-18(20)12(6-19)14(11)9-21-15/h4-9,16,19,22H,3H2,1-2H3,(H2,20,23)/b19-6+
InChIKeyFGPGZKFROQVGIS-KPSZGOFPSA-N
MW321.38 g/mol
LogP2.45
Rot. Bonds4

About 1-[5-(7-amino-8-methanimidoyl-2,6-naphthyridin-3-yl)-4-methyl-1,2-dihydropyridin-2-yl]propan-1-one

1-[5-(7-amino-8-methanimidoyl-2,6-naphthyridin-3-yl)-4-methyl-1,2-dihydropyridin-2-yl]propan-1-one (PubChem CID 171555879) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[5-(7-amino-8-methanimidoyl-2,6-naphthyridin-3-yl)-4-methyl-1,2-dihydropyridin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(7-amino-8-methanimidoyl-2,6-naphthyridin-3-yl)-4-methyl-1,2-dihydropyridin-2-yl]propan-1-one
PubChem CID171555879
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name1-[5-(7-amino-8-methanimidoyl-2,6-naphthyridin-3-yl)-4-methyl-1,2-dihydropyridin-2-yl]propan-1-one
SMILES[H]/N=C/c1c(N)ncc2cc(C3=CNC(C(=O)CC)C=C3C)ncc12
InChIInChI=1S/C18H19N5O/c1-3-17(24)16-4-10(2)13(8-22-16)15-5-11-7-23-18(20)12(6-19)14(11)9-21-15/h4-9,16,19,22H,3H2,1-2H3,(H2,20,23)/b19-6+
InChIKeyFGPGZKFROQVGIS-KPSZGOFPSA-N
XLogP2.45
TPSA104.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(7-amino-8-methanimidoyl-2,6-naphthyridin-3-yl)-4-methyl-1,2-dihydropyridin-2-yl]propan-1-one?
The IUPAC name of 1-[5-(7-amino-8-methanimidoyl-2,6-naphthyridin-3-yl)-4-methyl-1,2-dihydropyridin-2-yl]propan-1-one (CID 171555879) is 1-[5-(7-amino-8-methanimidoyl-2,6-naphthyridin-3-yl)-4-methyl-1,2-dihydropyridin-2-yl]propan-1-one.
What is the SMILES notation for 1-[5-(7-amino-8-methanimidoyl-2,6-naphthyridin-3-yl)-4-methyl-1,2-dihydropyridin-2-yl]propan-1-one?
The canonical SMILES for 1-[5-(7-amino-8-methanimidoyl-2,6-naphthyridin-3-yl)-4-methyl-1,2-dihydropyridin-2-yl]propan-1-one is [H]/N=C/c1c(N)ncc2cc(C3=CNC(C(=O)CC)C=C3C)ncc12.
What is the InChIKey of 1-[5-(7-amino-8-methanimidoyl-2,6-naphthyridin-3-yl)-4-methyl-1,2-dihydropyridin-2-yl]propan-1-one?
The InChIKey is FGPGZKFROQVGIS-KPSZGOFPSA-N. The full InChI is InChI=1S/C18H19N5O/c1-3-17(24)16-4-10(2)13(8-22-16)15-5-11-7-23-18(20)12(6-19)14(11)9-21-15/h4-9,16,19,22H,3H2,1-2H3,(H2,20,23)/b19-6+.
What are the key properties of 1-[5-(7-amino-8-methanimidoyl-2,6-naphthyridin-3-yl)-4-methyl-1,2-dihydropyridin-2-yl]propan-1-one?
1-[5-(7-amino-8-methanimidoyl-2,6-naphthyridin-3-yl)-4-methyl-1,2-dihydropyridin-2-yl]propan-1-one has a molecular weight of 321.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(7-amino-8-methanimidoyl-2,6-naphthyridin-3-yl)-4-methyl-1,2-dihydropyridin-2-yl]propan-1-one is sourced from PubChem (CID 171555879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).