1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(3S)-hex-5-en-3-yl]urea

C19H30N4O2 — CID 129433350

IUPAC1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(3S)-hex-5-en-3-yl]urea
SMILESC=CC[C@H](CC)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1
InChIInChI=1S/C19H30N4O2/c1-5-7-17(6-2)22-19(24)21-11-16-8-9-18(20-10-16)23-12-14(3)25-15(4)13-23/h5,8-10,14-15,17H,1,6-7,11-13H2,2-4H3,(H2,21,22,24)/t14-,15-,17+/m1/s1
InChIKeyMNBWLVIEFOTGLF-INMHGKMJSA-N
MW346.48 g/mol
LogP2.85
Rot. Bonds7

About 1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(3S)-hex-5-en-3-yl]urea

1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(3S)-hex-5-en-3-yl]urea (PubChem CID 129433350) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(3S)-hex-5-en-3-yl]urea.

Molecular Properties

Compound Name1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(3S)-hex-5-en-3-yl]urea
PubChem CID129433350
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(3S)-hex-5-en-3-yl]urea
SMILESC=CC[C@H](CC)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1
InChIInChI=1S/C19H30N4O2/c1-5-7-17(6-2)22-19(24)21-11-16-8-9-18(20-10-16)23-12-14(3)25-15(4)13-23/h5,8-10,14-15,17H,1,6-7,11-13H2,2-4H3,(H2,21,22,24)/t14-,15-,17+/m1/s1
InChIKeyMNBWLVIEFOTGLF-INMHGKMJSA-N
XLogP2.85
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(3S)-hex-5-en-3-yl]urea with MolForge

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Launch Full Analysis

Related Compounds

1-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(2R)-1-hydroxypropan-2-yl]urea
CID 100853715
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CID 87004096
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1-(1-hydroxybutan-2-yl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 110892395
1-[[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94025139
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 47861764
(2S)-2-amino-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119846441
1-(3,4-difluorophenyl)-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55702030
N-[(2S)-1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 98691531
1-[4-(difluoromethoxy)phenyl]-3-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 55702001
2-(cyclopropylmethylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
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4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(3S)-hex-5-en-3-yl]urea?
The IUPAC name of 1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(3S)-hex-5-en-3-yl]urea (CID 129433350) is 1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(3S)-hex-5-en-3-yl]urea.
What is the SMILES notation for 1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(3S)-hex-5-en-3-yl]urea?
The canonical SMILES for 1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(3S)-hex-5-en-3-yl]urea is C=CC[C@H](CC)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1.
What is the InChIKey of 1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(3S)-hex-5-en-3-yl]urea?
The InChIKey is MNBWLVIEFOTGLF-INMHGKMJSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-5-7-17(6-2)22-19(24)21-11-16-8-9-18(20-10-16)23-12-14(3)25-15(4)13-23/h5,8-10,14-15,17H,1,6-7,11-13H2,2-4H3,(H2,21,22,24)/t14-,15-,17+/m1/s1.
What are the key properties of 1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(3S)-hex-5-en-3-yl]urea?
1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(3S)-hex-5-en-3-yl]urea has a molecular weight of 346.48 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-3-[(3S)-hex-5-en-3-yl]urea is sourced from PubChem (CID 129433350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).