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

C19H23N5O4 — CID 162376501

IUPAC6-[4-[(3S)-3-(4-methylfuran-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCc1coc([C@@H]2CCON2C(=O)C2CCN(c3cc(C(N)=O)ncn3)CC2)c1
InChIInChI=1S/C19H23N5O4/c1-12-8-16(27-10-12)15-4-7-28-24(15)19(26)13-2-5-23(6-3-13)17-9-14(18(20)25)21-11-22-17/h8-11,13,15H,2-7H2,1H3,(H2,20,25)/t15-/m0/s1
InChIKeyNLQDHYJJXMFTIJ-HNNXBMFYSA-N
MW385.42 g/mol
LogP1.60
Rot. Bonds4

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

6-[4-[(3S)-3-(4-methylfuran-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 162376501) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 6-[4-[(3S)-3-(4-methylfuran-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-[(3S)-3-(4-methylfuran-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID162376501
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name6-[4-[(3S)-3-(4-methylfuran-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCc1coc([C@@H]2CCON2C(=O)C2CCN(c3cc(C(N)=O)ncn3)CC2)c1
InChIInChI=1S/C19H23N5O4/c1-12-8-16(27-10-12)15-4-7-28-24(15)19(26)13-2-5-23(6-3-13)17-9-14(18(20)25)21-11-22-17/h8-11,13,15H,2-7H2,1H3,(H2,20,25)/t15-/m0/s1
InChIKeyNLQDHYJJXMFTIJ-HNNXBMFYSA-N
XLogP1.60
TPSA114.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-[3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 168838992
6-[4-[3-[5-(hydroxymethyl)-3-pyridinyl]-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 162376351
6-[(3S,4R)-4-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide
CID 142613664
[1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone
CID 168838981
tert-butyl 1-(6-carbamoylpyrimidin-4-yl)piperidine-4-carboxylate
CID 162376577
5-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 162376503
2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide
CID 154697985
1-(6-aminopyrimidin-4-yl)piperidine-4-carboxamide
CID 78929761
6-[4-[3-(3-cyanophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 146237528
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-(6-aminopyrimidin-4-yl)piperidine-4-carboxylic acid
CID 170957533

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3S)-3-(4-methylfuran-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[4-[(3S)-3-(4-methylfuran-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (CID 162376501) is 6-[4-[(3S)-3-(4-methylfuran-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-[(3S)-3-(4-methylfuran-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-[(3S)-3-(4-methylfuran-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is Cc1coc([C@@H]2CCON2C(=O)C2CCN(c3cc(C(N)=O)ncn3)CC2)c1.
What is the InChIKey of 6-[4-[(3S)-3-(4-methylfuran-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is NLQDHYJJXMFTIJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-12-8-16(27-10-12)15-4-7-28-24(15)19(26)13-2-5-23(6-3-13)17-9-14(18(20)25)21-11-22-17/h8-11,13,15H,2-7H2,1H3,(H2,20,25)/t15-/m0/s1.
What are the key properties of 6-[4-[(3S)-3-(4-methylfuran-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
6-[4-[(3S)-3-(4-methylfuran-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3S)-3-(4-methylfuran-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 162376501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).