9-(2-ethylanilino)-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one

C21H18N4O — CID 66839844

IUPAC9-(2-ethylanilino)-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1ccccc1Nc1cccn2c(=O)cc(-c3ccncc3)nc12
InChIInChI=1S/C21H18N4O/c1-2-15-6-3-4-7-17(15)23-18-8-5-13-25-20(26)14-19(24-21(18)25)16-9-11-22-12-10-16/h3-14,23H,2H2,1H3
InChIKeyHKHAIADNHOCXIT-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.06
Rot. Bonds4

About 9-(2-ethylanilino)-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one

9-(2-ethylanilino)-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 66839844) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 9-(2-ethylanilino)-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-(2-ethylanilino)-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID66839844
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name9-(2-ethylanilino)-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1ccccc1Nc1cccn2c(=O)cc(-c3ccncc3)nc12
InChIInChI=1S/C21H18N4O/c1-2-15-6-3-4-7-17(15)23-18-8-5-13-25-20(26)14-19(24-21(18)25)16-9-11-22-12-10-16/h3-14,23H,2H2,1H3
InChIKeyHKHAIADNHOCXIT-UHFFFAOYSA-N
XLogP4.06
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(2-ethylanilino)-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-(2-ethylanilino)-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 66839844) is 9-(2-ethylanilino)-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-(2-ethylanilino)-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-(2-ethylanilino)-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one is CCc1ccccc1Nc1cccn2c(=O)cc(-c3ccncc3)nc12.
What is the InChIKey of 9-(2-ethylanilino)-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HKHAIADNHOCXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-2-15-6-3-4-7-17(15)23-18-8-5-13-25-20(26)14-19(24-21(18)25)16-9-11-22-12-10-16/h3-14,23H,2H2,1H3.
What are the key properties of 9-(2-ethylanilino)-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one?
9-(2-ethylanilino)-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 342.40 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethylanilino)-2-pyridin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 66839844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).