7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H20N4O2 — CID 120577711

IUPAC7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NC3CCCNC3C)c(=O)n2c1
InChIInChI=1S/C16H20N4O2/c1-10-5-6-14-18-8-12(16(22)20(14)9-10)15(21)19-13-4-3-7-17-11(13)2/h5-6,8-9,11,13,17H,3-4,7H2,1-2H3,(H,19,21)
InChIKeyHMIDKAULPHUYMY-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.87
Rot. Bonds2

About 7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 120577711) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID120577711
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)NC3CCCNC3C)c(=O)n2c1
InChIInChI=1S/C16H20N4O2/c1-10-5-6-14-18-8-12(16(22)20(14)9-10)15(21)19-13-4-3-7-17-11(13)2/h5-6,8-9,11,13,17H,3-4,7H2,1-2H3,(H,19,21)
InChIKeyHMIDKAULPHUYMY-UHFFFAOYSA-N
XLogP0.87
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 120577711) is 7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc2ncc(C(=O)NC3CCCNC3C)c(=O)n2c1.
What is the InChIKey of 7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is HMIDKAULPHUYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-5-6-14-18-8-12(16(22)20(14)9-10)15(21)19-13-4-3-7-17-11(13)2/h5-6,8-9,11,13,17H,3-4,7H2,1-2H3,(H,19,21).
What are the key properties of 7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-methylpiperidin-3-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 120577711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).