1-[(3S)-1-ethylpyrrolidin-3-yl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea

C17H27N5O2 — CID 95314482

IUPAC1-[(3S)-1-ethylpyrrolidin-3-yl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESCCN1CC[C@H](N(C)C(=O)Nc2ccc(N3CCOCC3)nc2)C1
InChIInChI=1S/C17H27N5O2/c1-3-21-7-6-15(13-21)20(2)17(23)19-14-4-5-16(18-12-14)22-8-10-24-11-9-22/h4-5,12,15H,3,6-11,13H2,1-2H3,(H,19,23)/t15-/m0/s1
InChIKeyRGXOEJKWVHYVGH-HNNXBMFYSA-N
MW333.44 g/mol
LogP1.48
Rot. Bonds4

About 1-[(3S)-1-ethylpyrrolidin-3-yl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea

1-[(3S)-1-ethylpyrrolidin-3-yl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea (PubChem CID 95314482) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[(3S)-1-ethylpyrrolidin-3-yl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(3S)-1-ethylpyrrolidin-3-yl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
PubChem CID95314482
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name1-[(3S)-1-ethylpyrrolidin-3-yl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESCCN1CC[C@H](N(C)C(=O)Nc2ccc(N3CCOCC3)nc2)C1
InChIInChI=1S/C17H27N5O2/c1-3-21-7-6-15(13-21)20(2)17(23)19-14-4-5-16(18-12-14)22-8-10-24-11-9-22/h4-5,12,15H,3,6-11,13H2,1-2H3,(H,19,23)/t15-/m0/s1
InChIKeyRGXOEJKWVHYVGH-HNNXBMFYSA-N
XLogP1.48
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3S)-1-ethylpyrrolidin-3-yl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea 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-[(3S)-1-ethylpyrrolidin-3-yl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The IUPAC name of 1-[(3S)-1-ethylpyrrolidin-3-yl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea (CID 95314482) is 1-[(3S)-1-ethylpyrrolidin-3-yl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(3S)-1-ethylpyrrolidin-3-yl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[(3S)-1-ethylpyrrolidin-3-yl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea is CCN1CC[C@H](N(C)C(=O)Nc2ccc(N3CCOCC3)nc2)C1.
What is the InChIKey of 1-[(3S)-1-ethylpyrrolidin-3-yl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The InChIKey is RGXOEJKWVHYVGH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-3-21-7-6-15(13-21)20(2)17(23)19-14-4-5-16(18-12-14)22-8-10-24-11-9-22/h4-5,12,15H,3,6-11,13H2,1-2H3,(H,19,23)/t15-/m0/s1.
What are the key properties of 1-[(3S)-1-ethylpyrrolidin-3-yl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea?
1-[(3S)-1-ethylpyrrolidin-3-yl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea has a molecular weight of 333.44 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-ethylpyrrolidin-3-yl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea is sourced from PubChem (CID 95314482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).