1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

C17H22N6O2 — CID 136547756

IUPAC1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3cc(NC4CC4)ncn3)CC2)no1
InChIInChI=1S/C17H22N6O2/c1-11-8-15(22-25-11)21-17(24)12-4-6-23(7-5-12)16-9-14(18-10-19-16)20-13-2-3-13/h8-10,12-13H,2-7H2,1H3,(H,18,19,20)(H,21,22,24)
InChIKeyPRMLRCQTMDEADU-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.20
Rot. Bonds5

About 1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide

1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (PubChem CID 136547756) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
PubChem CID136547756
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(c3cc(NC4CC4)ncn3)CC2)no1
InChIInChI=1S/C17H22N6O2/c1-11-8-15(22-25-11)21-17(24)12-4-6-23(7-5-12)16-9-14(18-10-19-16)20-13-2-3-13/h8-10,12-13H,2-7H2,1H3,(H,18,19,20)(H,21,22,24)
InChIKeyPRMLRCQTMDEADU-UHFFFAOYSA-N
XLogP2.20
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 133305541
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060204
methyl 4-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 91827802
1-(6-methylpyridazin-3-yl)-N-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 90544737
N-(6-piperidin-1-ylpyrimidin-4-yl)cyclopentanecarboxamide
CID 90544433
1-(6-fluoroquinazolin-4-yl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 133305498
N-(5-methyl-1,2-oxazol-3-yl)-2-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
CID 95918622
4-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060202
N-(5-methyl-1,2-oxazol-3-yl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 17492321
1-N,1-N-dimethyl-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 47136046
1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
CID 115265259

Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide (CID 136547756) is 1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(c3cc(NC4CC4)ncn3)CC2)no1.
What is the InChIKey of 1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
The InChIKey is PRMLRCQTMDEADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11-8-15(22-25-11)21-17(24)12-4-6-23(7-5-12)16-9-14(18-10-19-16)20-13-2-3-13/h8-10,12-13H,2-7H2,1H3,(H,18,19,20)(H,21,22,24).
What are the key properties of 1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide?
1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 136547756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).