(9E)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide

C16H17N5O2 — CID 12823339

IUPAC(9E)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC1CC/C(=N\Nc2ccccc2)c2ncc(C(N)=O)c(=O)n21
InChIInChI=1S/C16H17N5O2/c1-10-7-8-13(20-19-11-5-3-2-4-6-11)15-18-9-12(14(17)22)16(23)21(10)15/h2-6,9-10,19H,7-8H2,1H3,(H2,17,22)/b20-13+
InChIKeyPSRIXNKSRSLTAO-DEDYPNTBSA-N
MW311.34 g/mol
LogP1.51
Rot. Bonds3

About (9E)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide

(9E)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 12823339) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is (9E)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name(9E)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID12823339
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Name(9E)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC1CC/C(=N\Nc2ccccc2)c2ncc(C(N)=O)c(=O)n21
InChIInChI=1S/C16H17N5O2/c1-10-7-8-13(20-19-11-5-3-2-4-6-11)15-18-9-12(14(17)22)16(23)21(10)15/h2-6,9-10,19H,7-8H2,1H3,(H2,17,22)/b20-13+
InChIKeyPSRIXNKSRSLTAO-DEDYPNTBSA-N
XLogP1.51
TPSA102.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9E)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of (9E)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide (CID 12823339) is (9E)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for (9E)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for (9E)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide is CC1CC/C(=N\Nc2ccccc2)c2ncc(C(N)=O)c(=O)n21.
What is the InChIKey of (9E)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is PSRIXNKSRSLTAO-DEDYPNTBSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10-7-8-13(20-19-11-5-3-2-4-6-11)15-18-9-12(14(17)22)16(23)21(10)15/h2-6,9-10,19H,7-8H2,1H3,(H2,17,22)/b20-13+.
What are the key properties of (9E)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide?
(9E)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-6-methyl-4-oxo-9-(phenylhydrazinylidene)-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 12823339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).