2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

C16H13N3O2 — CID 2424851

IUPAC2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cccn2c(=O)c(C=O)c(Nc3ccccc3)nc12
InChIInChI=1S/C16H13N3O2/c1-11-6-5-9-19-15(11)18-14(13(10-20)16(19)21)17-12-7-3-2-4-8-12/h2-10,17H,1H3
InChIKeySUZSGHCJOWAXMD-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.56
Rot. Bonds3

About 2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (PubChem CID 2424851) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
PubChem CID2424851
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
SMILESCc1cccn2c(=O)c(C=O)c(Nc3ccccc3)nc12
InChIInChI=1S/C16H13N3O2/c1-11-6-5-9-19-15(11)18-14(13(10-20)16(19)21)17-12-7-3-2-4-8-12/h2-10,17H,1H3
InChIKeySUZSGHCJOWAXMD-UHFFFAOYSA-N
XLogP2.56
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde (CID 2424851) is 2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is Cc1cccn2c(=O)c(C=O)c(Nc3ccccc3)nc12.
What is the InChIKey of 2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
The InChIKey is SUZSGHCJOWAXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-6-5-9-19-15(11)18-14(13(10-20)16(19)21)17-12-7-3-2-4-8-12/h2-10,17H,1H3.
What are the key properties of 2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde?
2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde has a molecular weight of 279.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 2424851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).