6-methyl-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide

C13H15N3O2 — CID 3079274

IUPAC6-methyl-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)NC(C)C)c(=O)n12
InChIInChI=1S/C13H15N3O2/c1-8(2)15-12(17)10-7-14-11-6-4-5-9(3)16(11)13(10)18/h4-8H,1-3H3,(H,15,17)
InChIKeyHKJMQPUCOOQTDM-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.14
Rot. Bonds2

About 6-methyl-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide

6-methyl-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3079274) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3079274
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name6-methyl-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)NC(C)C)c(=O)n12
InChIInChI=1S/C13H15N3O2/c1-8(2)15-12(17)10-7-14-11-6-4-5-9(3)16(11)13(10)18/h4-8H,1-3H3,(H,15,17)
InChIKeyHKJMQPUCOOQTDM-UHFFFAOYSA-N
XLogP1.14
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide (CID 3079274) is 6-methyl-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc2ncc(C(=O)NC(C)C)c(=O)n12.
What is the InChIKey of 6-methyl-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is HKJMQPUCOOQTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8(2)15-12(17)10-7-14-11-6-4-5-9(3)16(11)13(10)18/h4-8H,1-3H3,(H,15,17).
What are the key properties of 6-methyl-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide?
6-methyl-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3079274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).