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

C18H21N7O3 — CID 162376397

IUPAC2-[4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC(C(=O)N3OCC[C@H]3c3cncnc3)CC2)n1
InChIInChI=1S/C18H21N7O3/c19-16(26)14-1-5-22-18(23-14)24-6-2-12(3-7-24)17(27)25-15(4-8-28-25)13-9-20-11-21-10-13/h1,5,9-12,15H,2-4,6-8H2,(H2,19,26)/t15-/m0/s1
InChIKeyNNNJSMBEVIVHKG-HNNXBMFYSA-N
MW383.41 g/mol
LogP0.49
Rot. Bonds4

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

2-[4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 162376397) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID162376397
Molecular FormulaC18H21N7O3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name2-[4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC(C(=O)N3OCC[C@H]3c3cncnc3)CC2)n1
InChIInChI=1S/C18H21N7O3/c19-16(26)14-1-5-22-18(23-14)24-6-2-12(3-7-24)17(27)25-15(4-8-28-25)13-9-20-11-21-10-13/h1,5,9-12,15H,2-4,6-8H2,(H2,19,26)/t15-/m0/s1
InChIKeyNNNJSMBEVIVHKG-HNNXBMFYSA-N
XLogP0.49
TPSA127.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (CID 162376397) is 2-[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-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is NC(=O)c1ccnc(N2CCC(C(=O)N3OCC[C@H]3c3cncnc3)CC2)n1.
What is the InChIKey of 2-[4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is NNNJSMBEVIVHKG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N7O3/c19-16(26)14-1-5-22-18(23-14)24-6-2-12(3-7-24)17(27)25-15(4-8-28-25)13-9-20-11-21-10-13/h1,5,9-12,15H,2-4,6-8H2,(H2,19,26)/t15-/m0/s1.
What are the key properties of 2-[4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
2-[4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 162376397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).