N-(1-ethylpyrazol-4-yl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-4-carboxamide

C18H26N6O — CID 84587567

IUPACN-(1-ethylpyrazol-4-yl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(c3nc(C)nc(C)c3C)CC2)cn1
InChIInChI=1S/C18H26N6O/c1-5-24-11-16(10-19-24)22-18(25)15-6-8-23(9-7-15)17-12(2)13(3)20-14(4)21-17/h10-11,15H,5-9H2,1-4H3,(H,22,25)
InChIKeyIRZYGDRRJHTAIT-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.47
Rot. Bonds4

About N-(1-ethylpyrazol-4-yl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-4-carboxamide

N-(1-ethylpyrazol-4-yl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 84587567) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID84587567
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC NameN-(1-ethylpyrazol-4-yl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(c3nc(C)nc(C)c3C)CC2)cn1
InChIInChI=1S/C18H26N6O/c1-5-24-11-16(10-19-24)22-18(25)15-6-8-23(9-7-15)17-12(2)13(3)20-14(4)21-17/h10-11,15H,5-9H2,1-4H3,(H,22,25)
InChIKeyIRZYGDRRJHTAIT-UHFFFAOYSA-N
XLogP2.47
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[5-bromo-2-[[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 145900914
N-[3-[[5-cyclopropyl-2-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]amino]propyl]cyclobutanecarboxamide
CID 59225272
2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-propan-2-ylpropanamide
CID 69081779
N-ethyl-2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanamide
CID 69083959
2-methyl-2-[3-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 76336221
Jak1/tyk2-IN-4
CID 162351808
8-[5-Methyl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 162351819
Jak1/tyk2-IN-3
CID 162351826
N-{3-[(5-cyclopropyl-2-{[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide
CID 145900916
8-[5-Methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166628816
8-[5-Methyl-2-[[1-(trideuteriomethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 166632362
8-[2-[(1-Methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 162351829

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-4-carboxamide (CID 84587567) is N-(1-ethylpyrazol-4-yl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(c3nc(C)nc(C)c3C)CC2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is IRZYGDRRJHTAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-5-24-11-16(10-19-24)22-18(25)15-6-8-23(9-7-15)17-12(2)13(3)20-14(4)21-17/h10-11,15H,5-9H2,1-4H3,(H,22,25).
What are the key properties of N-(1-ethylpyrazol-4-yl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-4-carboxamide?
N-(1-ethylpyrazol-4-yl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-1-(2,5,6-trimethylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 84587567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).