6-[4-[3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide

C18H23N7O3 — CID 168838992

IUPAC6-[4-[3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCn1ccc(C2CCON2C(=O)C2CCN(c3cc(C(N)=O)ncn3)CC2)n1
InChIInChI=1S/C18H23N7O3/c1-23-6-4-13(22-23)15-5-9-28-25(15)18(27)12-2-7-24(8-3-12)16-10-14(17(19)26)20-11-21-16/h4,6,10-12,15H,2-3,5,7-9H2,1H3,(H2,19,26)
InChIKeyARGKZUBVAXNFOR-UHFFFAOYSA-N
MW385.43 g/mol
LogP0.43
Rot. Bonds4

About 6-[4-[3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide

6-[4-[3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 168838992) has the molecular formula C18H23N7O3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 6-[4-[3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-[3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID168838992
Molecular FormulaC18H23N7O3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name6-[4-[3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCn1ccc(C2CCON2C(=O)C2CCN(c3cc(C(N)=O)ncn3)CC2)n1
InChIInChI=1S/C18H23N7O3/c1-23-6-4-13(22-23)15-5-9-28-25(15)18(27)12-2-7-24(8-3-12)16-10-14(17(19)26)20-11-21-16/h4,6,10-12,15H,2-3,5,7-9H2,1H3,(H2,19,26)
InChIKeyARGKZUBVAXNFOR-UHFFFAOYSA-N
XLogP0.43
TPSA119.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 151520551
6-[4-[(3S)-3-(4-methylfuran-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 162376501
6-[4-[3-[5-(hydroxymethyl)-3-pyridinyl]-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 162376351
[1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone
CID 168838981
6-[(3S,4R)-4-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide
CID 142613664
tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate
CID 162376577
2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide
CID 154697985
5-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 162376503
6-[4-[3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 146237528
3-fluoro-5-[(3S)-2-[1-(5-fluoro-6-methoxypyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 170957536
tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate;1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 175877328
1-methylpyrazole-3-carboxamide
CID 13464586

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-[3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (CID 168838992) is 6-[4-[3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-[3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-[3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is Cn1ccc(C2CCON2C(=O)C2CCN(c3cc(C(N)=O)ncn3)CC2)n1.
What is the InChIKey of 6-[4-[3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is ARGKZUBVAXNFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O3/c1-23-6-4-13(22-23)15-5-9-28-25(15)18(27)12-2-7-24(8-3-12)16-10-14(17(19)26)20-11-21-16/h4,6,10-12,15H,2-3,5,7-9H2,1H3,(H2,19,26).
What are the key properties of 6-[4-[3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
6-[4-[3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 168838992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).