N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-oxopiperidine-3-carboxamide

C13H19N5O3 — CID 122319486

IUPACN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ncc(NC(=O)C2CCC(=O)NC2)c(N(C)C)n1
InChIInChI=1S/C13H19N5O3/c1-18(2)11-9(7-15-13(17-11)21-3)16-12(20)8-4-5-10(19)14-6-8/h7-8H,4-6H2,1-3H3,(H,14,19)(H,16,20)
InChIKeyPCLDFBDIYFRSTI-UHFFFAOYSA-N
MW293.33 g/mol
LogP0.02
Rot. Bonds4

About N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-oxopiperidine-3-carboxamide

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-oxopiperidine-3-carboxamide (PubChem CID 122319486) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-oxopiperidine-3-carboxamide
PubChem CID122319486
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-oxopiperidine-3-carboxamide
SMILESCOc1ncc(NC(=O)C2CCC(=O)NC2)c(N(C)C)n1
InChIInChI=1S/C13H19N5O3/c1-18(2)11-9(7-15-13(17-11)21-3)16-12(20)8-4-5-10(19)14-6-8/h7-8H,4-6H2,1-3H3,(H,14,19)(H,16,20)
InChIKeyPCLDFBDIYFRSTI-UHFFFAOYSA-N
XLogP0.02
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-oxopiperidine-3-carboxamide (CID 122319486) is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-oxopiperidine-3-carboxamide is COc1ncc(NC(=O)C2CCC(=O)NC2)c(N(C)C)n1.
What is the InChIKey of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-oxopiperidine-3-carboxamide?
The InChIKey is PCLDFBDIYFRSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-18(2)11-9(7-15-13(17-11)21-3)16-12(20)8-4-5-10(19)14-6-8/h7-8H,4-6H2,1-3H3,(H,14,19)(H,16,20).
What are the key properties of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-oxopiperidine-3-carboxamide?
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-oxopiperidine-3-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 122319486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).