4,8-dimethyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

C17H21N5O2 — CID 46963942

IUPAC4,8-dimethyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CC2=NC(=O)CC(C)(C(=O)NCCn3ccc(C)n3)N2C=C1
InChIInChI=1S/C17H21N5O2/c1-12-4-8-22-14(10-12)19-15(23)11-17(22,3)16(24)18-6-9-21-7-5-13(2)20-21/h4-5,7-8,10H,6,9,11H2,1-3H3,(H,18,24)
InChIKeyXQFQWIDXJHZZAX-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.17
Rot. Bonds4

About 4,8-dimethyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide

4,8-dimethyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (PubChem CID 46963942) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4,8-dimethyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name4,8-dimethyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
PubChem CID46963942
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4,8-dimethyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
SMILESCC1=CC2=NC(=O)CC(C)(C(=O)NCCn3ccc(C)n3)N2C=C1
InChIInChI=1S/C17H21N5O2/c1-12-4-8-22-14(10-12)19-15(23)11-17(22,3)16(24)18-6-9-21-7-5-13(2)20-21/h4-5,7-8,10H,6,9,11H2,1-3H3,(H,18,24)
InChIKeyXQFQWIDXJHZZAX-UHFFFAOYSA-N
XLogP1.17
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The IUPAC name of 4,8-dimethyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide (CID 46963942) is 4,8-dimethyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide.
What is the SMILES notation for 4,8-dimethyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The canonical SMILES for 4,8-dimethyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is CC1=CC2=NC(=O)CC(C)(C(=O)NCCn3ccc(C)n3)N2C=C1.
What is the InChIKey of 4,8-dimethyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
The InChIKey is XQFQWIDXJHZZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-4-8-22-14(10-12)19-15(23)11-17(22,3)16(24)18-6-9-21-7-5-13(2)20-21/h4-5,7-8,10H,6,9,11H2,1-3H3,(H,18,24).
What are the key properties of 4,8-dimethyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide?
4,8-dimethyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-N-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide is sourced from PubChem (CID 46963942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).