2-(2,5-dimethylpiperidin-1-yl)-3-nitropyrido[1,2-a]pyrimidin-4-one

C15H18N4O3 — CID 133333249

IUPAC2-(2,5-dimethylpiperidin-1-yl)-3-nitropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCC(C)N(c2nc3ccccn3c(=O)c2[N+](=O)[O-])C1
InChIInChI=1S/C15H18N4O3/c1-10-6-7-11(2)18(9-10)14-13(19(21)22)15(20)17-8-4-3-5-12(17)16-14/h3-5,8,10-11H,6-7,9H2,1-2H3
InChIKeyADTJNEFBKGFSEV-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.23
Rot. Bonds2

About 2-(2,5-dimethylpiperidin-1-yl)-3-nitropyrido[1,2-a]pyrimidin-4-one

2-(2,5-dimethylpiperidin-1-yl)-3-nitropyrido[1,2-a]pyrimidin-4-one (PubChem CID 133333249) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperidin-1-yl)-3-nitropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,5-dimethylpiperidin-1-yl)-3-nitropyrido[1,2-a]pyrimidin-4-one
PubChem CID133333249
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-(2,5-dimethylpiperidin-1-yl)-3-nitropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCC(C)N(c2nc3ccccn3c(=O)c2[N+](=O)[O-])C1
InChIInChI=1S/C15H18N4O3/c1-10-6-7-11(2)18(9-10)14-13(19(21)22)15(20)17-8-4-3-5-12(17)16-14/h3-5,8,10-11H,6-7,9H2,1-2H3
InChIKeyADTJNEFBKGFSEV-UHFFFAOYSA-N
XLogP2.23
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethylamino]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 92864355
2-[4-(hydroxymethyl)piperidin-1-yl]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 60504431
2-[[(1S,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 97248827
2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 75394125
3-nitro-2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 133377135
2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 133330520
2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 92856330
2-[2-[cyclohexyl(methyl)amino]ethyl-methylamino]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 47807626
2-[4-(2-fluoroanilino)piperidin-1-yl]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 133322767
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 42885343
2-(cyclopropylmethylamino)-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 47151503
2-[[(R)-cyclopropyl(phenyl)methyl]amino]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 92845226

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperidin-1-yl)-3-nitropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(2,5-dimethylpiperidin-1-yl)-3-nitropyrido[1,2-a]pyrimidin-4-one (CID 133333249) is 2-(2,5-dimethylpiperidin-1-yl)-3-nitropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(2,5-dimethylpiperidin-1-yl)-3-nitropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(2,5-dimethylpiperidin-1-yl)-3-nitropyrido[1,2-a]pyrimidin-4-one is CC1CCC(C)N(c2nc3ccccn3c(=O)c2[N+](=O)[O-])C1.
What is the InChIKey of 2-(2,5-dimethylpiperidin-1-yl)-3-nitropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ADTJNEFBKGFSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-10-6-7-11(2)18(9-10)14-13(19(21)22)15(20)17-8-4-3-5-12(17)16-14/h3-5,8,10-11H,6-7,9H2,1-2H3.
What are the key properties of 2-(2,5-dimethylpiperidin-1-yl)-3-nitropyrido[1,2-a]pyrimidin-4-one?
2-(2,5-dimethylpiperidin-1-yl)-3-nitropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 302.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperidin-1-yl)-3-nitropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 133333249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).