1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea

C16H21N3O2S — CID 95976656

IUPAC1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
SMILESCC[C@H](NC(=O)NCc1c(C)cc(C)[nH]c1=O)c1cccs1
InChIInChI=1S/C16H21N3O2S/c1-4-13(14-6-5-7-22-14)19-16(21)17-9-12-10(2)8-11(3)18-15(12)20/h5-8,13H,4,9H2,1-3H3,(H,18,20)(H2,17,19,21)/t13-/m0/s1
InChIKeySONSLUYXGHAECW-ZDUSSCGKSA-N
MW319.43 g/mol
LogP3.00
Rot. Bonds5

About 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea

1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea (PubChem CID 95976656) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea.

Molecular Properties

Compound Name1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
PubChem CID95976656
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea
SMILESCC[C@H](NC(=O)NCc1c(C)cc(C)[nH]c1=O)c1cccs1
InChIInChI=1S/C16H21N3O2S/c1-4-13(14-6-5-7-22-14)19-16(21)17-9-12-10(2)8-11(3)18-15(12)20/h5-8,13H,4,9H2,1-3H3,(H,18,20)(H2,17,19,21)/t13-/m0/s1
InChIKeySONSLUYXGHAECW-ZDUSSCGKSA-N
XLogP3.00
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea with MolForge

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Related Compounds

1-benzyl-3-(1-thiophen-2-ylpropyl)urea
CID 47322594
1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 111104096
2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid
CID 113308183
1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea
CID 111338206
1-[(4-methylsulfanyloxan-4-yl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 71868510
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
6-oxo-N-(1-thiophen-2-ylpropyl)-1H-pyridine-2-carboxamide
CID 107261861
1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096618
N-(cyanomethyl)-N'-(1-thiophen-2-ylpropyl)oxamide
CID 54964386
1-[(4-hydroxy-3-methylphenyl)methyl]-3-(3-hydroxy-1-thiophen-2-ylpropyl)urea
CID 166272250
4-amino-5-methyl-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-3-carboxamide
CID 55034284
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea?
The IUPAC name of 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea (CID 95976656) is 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea.
What is the SMILES notation for 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea?
The canonical SMILES for 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea is CC[C@H](NC(=O)NCc1c(C)cc(C)[nH]c1=O)c1cccs1.
What is the InChIKey of 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea?
The InChIKey is SONSLUYXGHAECW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-4-13(14-6-5-7-22-14)19-16(21)17-9-12-10(2)8-11(3)18-15(12)20/h5-8,13H,4,9H2,1-3H3,(H,18,20)(H2,17,19,21)/t13-/m0/s1.
What are the key properties of 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea?
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea has a molecular weight of 319.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylpropyl]urea is sourced from PubChem (CID 95976656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).