1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-3-pyridin-3-ylurea

C15H22N4O3 — CID 94031851

IUPAC1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-3-pyridin-3-ylurea
SMILESC[C@H]1CN(C(=O)CCNC(=O)Nc2cccnc2)C[C@H](C)O1
InChIInChI=1S/C15H22N4O3/c1-11-9-19(10-12(2)22-11)14(20)5-7-17-15(21)18-13-4-3-6-16-8-13/h3-4,6,8,11-12H,5,7,9-10H2,1-2H3,(H2,17,18,21)/t11-,12-/m0/s1
InChIKeySNLDBEXTZWQUCE-RYUDHWBXSA-N
MW306.37 g/mol
LogP1.23
Rot. Bonds4

About 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-3-pyridin-3-ylurea

1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-3-pyridin-3-ylurea (PubChem CID 94031851) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-3-pyridin-3-ylurea
PubChem CID94031851
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-3-pyridin-3-ylurea
SMILESC[C@H]1CN(C(=O)CCNC(=O)Nc2cccnc2)C[C@H](C)O1
InChIInChI=1S/C15H22N4O3/c1-11-9-19(10-12(2)22-11)14(20)5-7-17-15(21)18-13-4-3-6-16-8-13/h3-4,6,8,11-12H,5,7,9-10H2,1-2H3,(H2,17,18,21)/t11-,12-/m0/s1
InChIKeySNLDBEXTZWQUCE-RYUDHWBXSA-N
XLogP1.23
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-3-pyridin-3-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-3-pyridin-3-ylurea (CID 94031851) is 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-3-pyridin-3-ylurea is C[C@H]1CN(C(=O)CCNC(=O)Nc2cccnc2)C[C@H](C)O1.
What is the InChIKey of 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-3-pyridin-3-ylurea?
The InChIKey is SNLDBEXTZWQUCE-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11-9-19(10-12(2)22-11)14(20)5-7-17-15(21)18-13-4-3-6-16-8-13/h3-4,6,8,11-12H,5,7,9-10H2,1-2H3,(H2,17,18,21)/t11-,12-/m0/s1.
What are the key properties of 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-3-pyridin-3-ylurea?
1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-3-pyridin-3-ylurea has a molecular weight of 306.37 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 94031851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).