N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C21H24N6O2 — CID 137095489

IUPACN-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCCc1cc(=O)[nH]c(-c2cccc(NC(=O)C3(n4cccn4)CCNCC3)c2)n1
InChIInChI=1S/C21H24N6O2/c1-2-16-14-18(28)26-19(24-16)15-5-3-6-17(13-15)25-20(29)21(7-10-22-11-8-21)27-12-4-9-23-27/h3-6,9,12-14,22H,2,7-8,10-11H2,1H3,(H,25,29)(H,24,26,28)
InChIKeyGYKRQXSMAGGWOV-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.91
Rot. Bonds5

About N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 137095489) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID137095489
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCCc1cc(=O)[nH]c(-c2cccc(NC(=O)C3(n4cccn4)CCNCC3)c2)n1
InChIInChI=1S/C21H24N6O2/c1-2-16-14-18(28)26-19(24-16)15-5-3-6-17(13-15)25-20(29)21(7-10-22-11-8-21)27-12-4-9-23-27/h3-6,9,12-14,22H,2,7-8,10-11H2,1H3,(H,25,29)(H,24,26,28)
InChIKeyGYKRQXSMAGGWOV-UHFFFAOYSA-N
XLogP1.91
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 137095489) is N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C3(n4cccn4)CCNCC3)c2)n1.
What is the InChIKey of N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is GYKRQXSMAGGWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-2-16-14-18(28)26-19(24-16)15-5-3-6-17(13-15)25-20(29)21(7-10-22-11-8-21)27-12-4-9-23-27/h3-6,9,12-14,22H,2,7-8,10-11H2,1H3,(H,25,29)(H,24,26,28).
What are the key properties of N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 137095489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).