2-[4-methyl-4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide

C19H23N7O3 — CID 162376643

IUPAC2-[4-methyl-4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCC1(C(=O)N2OCC[C@H]2c2cncnc2)CCN(c2nccc(C(N)=O)n2)CC1
InChIInChI=1S/C19H23N7O3/c1-19(17(28)26-15(3-9-29-26)13-10-21-12-22-11-13)4-7-25(8-5-19)18-23-6-2-14(24-18)16(20)27/h2,6,10-12,15H,3-5,7-9H2,1H3,(H2,20,27)/t15-/m0/s1
InChIKeyPMNWRWQJDMWTCD-HNNXBMFYSA-N
MW397.44 g/mol
LogP0.88
Rot. Bonds4

About 2-[4-methyl-4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide

2-[4-methyl-4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 162376643) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[4-methyl-4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-methyl-4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID162376643
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC Name2-[4-methyl-4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCC1(C(=O)N2OCC[C@H]2c2cncnc2)CCN(c2nccc(C(N)=O)n2)CC1
InChIInChI=1S/C19H23N7O3/c1-19(17(28)26-15(3-9-29-26)13-10-21-12-22-11-13)4-7-25(8-5-19)18-23-6-2-14(24-18)16(20)27/h2,6,10-12,15H,3-5,7-9H2,1H3,(H2,20,27)/t15-/m0/s1
InChIKeyPMNWRWQJDMWTCD-HNNXBMFYSA-N
XLogP0.88
TPSA127.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[4-methyl-4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (CID 162376643) is 2-[4-methyl-4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-methyl-4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-methyl-4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is CC1(C(=O)N2OCC[C@H]2c2cncnc2)CCN(c2nccc(C(N)=O)n2)CC1.
What is the InChIKey of 2-[4-methyl-4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is PMNWRWQJDMWTCD-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N7O3/c1-19(17(28)26-15(3-9-29-26)13-10-21-12-22-11-13)4-7-25(8-5-19)18-23-6-2-14(24-18)16(20)27/h2,6,10-12,15H,3-5,7-9H2,1H3,(H2,20,27)/t15-/m0/s1.
What are the key properties of 2-[4-methyl-4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
2-[4-methyl-4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 162376643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).