1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea

C17H24N4OS — CID 51959987

IUPAC1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
SMILESCc1ccc(NCCCNC(=O)N(C)[C@H](C)c2cccs2)nc1
InChIInChI=1S/C17H24N4OS/c1-13-7-8-16(20-12-13)18-9-5-10-19-17(22)21(3)14(2)15-6-4-11-23-15/h4,6-8,11-12,14H,5,9-10H2,1-3H3,(H,18,20)(H,19,22)/t14-/m1/s1
InChIKeyVTYVTSFDALEWDX-CQSZACIVSA-N
MW332.47 g/mol
LogP3.66
Rot. Bonds7

About 1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea

1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea (PubChem CID 51959987) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
PubChem CID51959987
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
SMILESCc1ccc(NCCCNC(=O)N(C)[C@H](C)c2cccs2)nc1
InChIInChI=1S/C17H24N4OS/c1-13-7-8-16(20-12-13)18-9-5-10-19-17(22)21(3)14(2)15-6-4-11-23-15/h4,6-8,11-12,14H,5,9-10H2,1-3H3,(H,18,20)(H,19,22)/t14-/m1/s1
InChIKeyVTYVTSFDALEWDX-CQSZACIVSA-N
XLogP3.66
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea with MolForge

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Related Compounds

1-methyl-3-[2-(pyrimidin-2-ylamino)ethyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 94124053
4-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 54981184
1-methyl-3-(3-pyrazol-1-ylpropyl)-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 94030702
ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate
CID 97029198
4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
CID 120565647
2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
CID 119888065
2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide
CID 119888018
N-methyl-2-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 62180310
3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 30886324
3-[(3-fluoro-4-methylphenyl)methyl]-1-methyl-1-[(1S)-1-thiophen-2-ylethyl]urea
CID 30886325
(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 99928932
(2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide
CID 97071138

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea?
The IUPAC name of 1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea (CID 51959987) is 1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea is Cc1ccc(NCCCNC(=O)N(C)[C@H](C)c2cccs2)nc1.
What is the InChIKey of 1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea?
The InChIKey is VTYVTSFDALEWDX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-13-7-8-16(20-12-13)18-9-5-10-19-17(22)21(3)14(2)15-6-4-11-23-15/h4,6-8,11-12,14H,5,9-10H2,1-3H3,(H,18,20)(H,19,22)/t14-/m1/s1.
What are the key properties of 1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea?
1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea has a molecular weight of 332.47 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea is sourced from PubChem (CID 51959987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).