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

C16H13N3O2 — CID 3079287

IUPAC6-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)Nc3ccccc3)c(=O)n12
InChIInChI=1S/C16H13N3O2/c1-11-6-5-9-14-17-10-13(16(21)19(11)14)15(20)18-12-7-3-2-4-8-12/h2-10H,1H3,(H,18,20)
InChIKeyBECHPSJCRMKBSB-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.26
Rot. Bonds2

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

6-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3079287) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3079287
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name6-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1cccc2ncc(C(=O)Nc3ccccc3)c(=O)n12
InChIInChI=1S/C16H13N3O2/c1-11-6-5-9-14-17-10-13(16(21)19(11)14)15(20)18-12-7-3-2-4-8-12/h2-10H,1H3,(H,18,20)
InChIKeyBECHPSJCRMKBSB-UHFFFAOYSA-N
XLogP2.26
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.26
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-phenylpyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide (CID 3079287) is 6-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide is Cc1cccc2ncc(C(=O)Nc3ccccc3)c(=O)n12.
What is the InChIKey of 6-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is BECHPSJCRMKBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-11-6-5-9-14-17-10-13(16(21)19(11)14)15(20)18-12-7-3-2-4-8-12/h2-10H,1H3,(H,18,20).
What are the key properties of 6-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide?
6-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 2.26, 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-phenylpyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3079287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).