3-(3-methoxypropyl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea

C15H25N3O2 — CID 126444492

IUPAC3-(3-methoxypropyl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea
SMILESCOCCCNC(=O)N(C)[C@@H](C)Cc1cc(C)ccn1
InChIInChI=1S/C15H25N3O2/c1-12-6-8-16-14(10-12)11-13(2)18(3)15(19)17-7-5-9-20-4/h6,8,10,13H,5,7,9,11H2,1-4H3,(H,17,19)/t13-/m0/s1
InChIKeyZXWORHMNKCUKDI-ZDUSSCGKSA-N
MW279.38 g/mol
LogP2.00
Rot. Bonds7

About 3-(3-methoxypropyl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea

3-(3-methoxypropyl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea (PubChem CID 126444492) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea
PubChem CID126444492
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-(3-methoxypropyl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea
SMILESCOCCCNC(=O)N(C)[C@@H](C)Cc1cc(C)ccn1
InChIInChI=1S/C15H25N3O2/c1-12-6-8-16-14(10-12)11-13(2)18(3)15(19)17-7-5-9-20-4/h6,8,10,13H,5,7,9,11H2,1-4H3,(H,17,19)/t13-/m0/s1
InChIKeyZXWORHMNKCUKDI-ZDUSSCGKSA-N
XLogP2.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea
CID 126428727
3-hydroxy-N-methyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]pyridine-2-carboxamide
CID 47000342
3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[1-(4-methyl-2-pyridinyl)propan-2-yl]urea
CID 119060969
3-(2,3-dihydro-1H-inden-2-yl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea
CID 126427606
4-[methyl-[1-(4-methyl-2-pyridinyl)propan-2-yl]amino]-4-oxobutanoic acid
CID 121496087
N,3-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]furan-2-carboxamide
CID 46997117
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea
CID 125173171
N-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 126443393
N-methyl-4-(1-methylimidazol-2-yl)-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 119071482
N-methyl-4-(1-methylimidazol-2-yl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 126447505
methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate
CID 155904663
1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide
CID 97144985

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea?
The IUPAC name of 3-(3-methoxypropyl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea (CID 126444492) is 3-(3-methoxypropyl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea.
What is the SMILES notation for 3-(3-methoxypropyl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea?
The canonical SMILES for 3-(3-methoxypropyl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea is COCCCNC(=O)N(C)[C@@H](C)Cc1cc(C)ccn1.
What is the InChIKey of 3-(3-methoxypropyl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea?
The InChIKey is ZXWORHMNKCUKDI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12-6-8-16-14(10-12)11-13(2)18(3)15(19)17-7-5-9-20-4/h6,8,10,13H,5,7,9,11H2,1-4H3,(H,17,19)/t13-/m0/s1.
What are the key properties of 3-(3-methoxypropyl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea?
3-(3-methoxypropyl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea has a molecular weight of 279.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-1-methyl-1-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]urea is sourced from PubChem (CID 126444492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).