N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

C21H26N8O2 — CID 121120951

IUPACN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1ncn(CCNC(=O)C2CCN(c3cc(-n4cccn4)ncn3)CC2)c(=O)c1C
InChIInChI=1S/C21H26N8O2/c1-15-16(2)25-14-28(21(15)31)11-7-22-20(30)17-4-9-27(10-5-17)18-12-19(24-13-23-18)29-8-3-6-26-29/h3,6,8,12-14,17H,4-5,7,9-11H2,1-2H3,(H,22,30)
InChIKeyXYYQYDBLWRMTCB-UHFFFAOYSA-N
MW422.49 g/mol
LogP0.87
Rot. Bonds6

About N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 121120951) has the molecular formula C21H26N8O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID121120951
Molecular FormulaC21H26N8O2
Molecular Weight422.49 g/mol
Exact Mass422.22
IUPAC NameN-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1ncn(CCNC(=O)C2CCN(c3cc(-n4cccn4)ncn3)CC2)c(=O)c1C
InChIInChI=1S/C21H26N8O2/c1-15-16(2)25-14-28(21(15)31)11-7-22-20(30)17-4-9-27(10-5-17)18-12-19(24-13-23-18)29-8-3-6-26-29/h3,6,8,12-14,17H,4-5,7,9-11H2,1-2H3,(H,22,30)
InChIKeyXYYQYDBLWRMTCB-UHFFFAOYSA-N
XLogP0.87
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121120955
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 119101017
N-[2-(2-methylimidazol-1-yl)ethyl]-1-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90520151
N-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168767
N-[3-(dimethylamino)propyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168611
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546186
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520683
N-[2-(4-methoxyphenoxy)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520662
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 56724685
N-(2-pyridin-4-ylethyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600551
N-[6-(4-benzylpiperazin-1-yl)pyrimidin-4-yl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90545831
N-[2-(3-methoxyphenyl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90520628

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (CID 121120951) is N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is Cc1ncn(CCNC(=O)C2CCN(c3cc(-n4cccn4)ncn3)CC2)c(=O)c1C.
What is the InChIKey of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is XYYQYDBLWRMTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O2/c1-15-16(2)25-14-28(21(15)31)11-7-22-20(30)17-4-9-27(10-5-17)18-12-19(24-13-23-18)29-8-3-6-26-29/h3,6,8,12-14,17H,4-5,7,9-11H2,1-2H3,(H,22,30).
What are the key properties of N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 121120951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).