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

C19H27N5O4 — CID 162376645

IUPAC2-[4-[3-(oxan-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC(C(=O)N3OCCC3C3CCCOC3)CC2)n1
InChIInChI=1S/C19H27N5O4/c20-17(25)15-3-7-21-19(22-15)23-8-4-13(5-9-23)18(26)24-16(6-11-28-24)14-2-1-10-27-12-14/h3,7,13-14,16H,1-2,4-6,8-12H2,(H2,20,25)
InChIKeyNNAFUURGNAYQOY-UHFFFAOYSA-N
MW389.46 g/mol
LogP0.75
Rot. Bonds4

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

2-[4-[3-(oxan-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 162376645) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[4-[3-(oxan-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[3-(oxan-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID162376645
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name2-[4-[3-(oxan-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC(C(=O)N3OCCC3C3CCCOC3)CC2)n1
InChIInChI=1S/C19H27N5O4/c20-17(25)15-3-7-21-19(22-15)23-8-4-13(5-9-23)18(26)24-16(6-11-28-24)14-2-1-10-27-12-14/h3,7,13-14,16H,1-2,4-6,8-12H2,(H2,20,25)
InChIKeyNNAFUURGNAYQOY-UHFFFAOYSA-N
XLogP0.75
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(oxan-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[4-[3-(oxan-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (CID 162376645) is 2-[4-[3-(oxan-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-[3-(oxan-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-[3-(oxan-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is NC(=O)c1ccnc(N2CCC(C(=O)N3OCCC3C3CCCOC3)CC2)n1.
What is the InChIKey of 2-[4-[3-(oxan-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is NNAFUURGNAYQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4/c20-17(25)15-3-7-21-19(22-15)23-8-4-13(5-9-23)18(26)24-16(6-11-28-24)14-2-1-10-27-12-14/h3,7,13-14,16H,1-2,4-6,8-12H2,(H2,20,25).
What are the key properties of 2-[4-[3-(oxan-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
2-[4-[3-(oxan-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(oxan-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 162376645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).