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

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Related Compounds

tert-Butyl 4-(6-aminopyridin-3-yl)piperazine-1-carboxylate
CID 11737525
2-[4-(Morpholino)anilino]-4-(1-isopropyl-2-methyl-1h-imidazol-5-yl)pyrimidine
CID 44578651
N-(5-amino-4-(morpholinomethyl)pyridin-2-yl)-2,2-dimethylbutanamide
CID 45487760
2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
CID 135559169
N-[3-(4-morpholinyl)propyl]-5-nitro-2-pyridinamine
CID 2848698
N-(pyridin-2-yl)morpholine-4-carboxamide
CID 653226
US11091488, Example 50
CID 129194837
2-(4-Methylpiperazin-1-yl)pyridin-3-amine
CID 199808
6-(Morpholino)pyridin-3-amine
CID 104059
3-Amino-2-morpholin-4-ylpyridine
CID 2776573
1-(piperidin-4-yl)-1H,2H,3H-imidazo[4,5-b]pyridin-2-one dihydrochloride
CID 22293181
N-[6-((R)-2-Methoxymethylpyrrolidin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]acetamide
CID 25208258

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).