2-aminopyridine-3-carbaldehyde;2-methyl-1,8-naphthyridine;propan-2-one

C18H20N4O2 — CID 158631009

IUPAC2-aminopyridine-3-carbaldehyde;2-methyl-1,8-naphthyridine;propan-2-one
SMILESCC(C)=O.Cc1ccc2cccnc2n1.Nc1ncccc1C=O
InChIInChI=1S/C9H8N2.C6H6N2O.C3H6O/c1-7-4-5-8-3-2-6-10-9(8)11-7;7-6-5(4-9)2-1-3-8-6;1-3(2)4/h2-6H,1H3;1-4H,(H2,7,8);1-2H3
InChIKeyHZEQRXFHONUKJT-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.01
Rot. Bonds1

About 2-aminopyridine-3-carbaldehyde;2-methyl-1,8-naphthyridine;propan-2-one

2-aminopyridine-3-carbaldehyde;2-methyl-1,8-naphthyridine;propan-2-one (PubChem CID 158631009) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-aminopyridine-3-carbaldehyde;2-methyl-1,8-naphthyridine;propan-2-one.

Molecular Properties

Compound Name2-aminopyridine-3-carbaldehyde;2-methyl-1,8-naphthyridine;propan-2-one
PubChem CID158631009
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-aminopyridine-3-carbaldehyde;2-methyl-1,8-naphthyridine;propan-2-one
SMILESCC(C)=O.Cc1ccc2cccnc2n1.Nc1ncccc1C=O
InChIInChI=1S/C9H8N2.C6H6N2O.C3H6O/c1-7-4-5-8-3-2-6-10-9(8)11-7;7-6-5(4-9)2-1-3-8-6;1-3(2)4/h2-6H,1H3;1-4H,(H2,7,8);1-2H3
InChIKeyHZEQRXFHONUKJT-UHFFFAOYSA-N
XLogP3.01
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminopyridine-3-carbaldehyde;2-methyl-1,8-naphthyridine;propan-2-one?
The IUPAC name of 2-aminopyridine-3-carbaldehyde;2-methyl-1,8-naphthyridine;propan-2-one (CID 158631009) is 2-aminopyridine-3-carbaldehyde;2-methyl-1,8-naphthyridine;propan-2-one.
What is the SMILES notation for 2-aminopyridine-3-carbaldehyde;2-methyl-1,8-naphthyridine;propan-2-one?
The canonical SMILES for 2-aminopyridine-3-carbaldehyde;2-methyl-1,8-naphthyridine;propan-2-one is CC(C)=O.Cc1ccc2cccnc2n1.Nc1ncccc1C=O.
What is the InChIKey of 2-aminopyridine-3-carbaldehyde;2-methyl-1,8-naphthyridine;propan-2-one?
The InChIKey is HZEQRXFHONUKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.C6H6N2O.C3H6O/c1-7-4-5-8-3-2-6-10-9(8)11-7;7-6-5(4-9)2-1-3-8-6;1-3(2)4/h2-6H,1H3;1-4H,(H2,7,8);1-2H3.
What are the key properties of 2-aminopyridine-3-carbaldehyde;2-methyl-1,8-naphthyridine;propan-2-one?
2-aminopyridine-3-carbaldehyde;2-methyl-1,8-naphthyridine;propan-2-one has a molecular weight of 324.38 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopyridine-3-carbaldehyde;2-methyl-1,8-naphthyridine;propan-2-one is sourced from PubChem (CID 158631009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).