1-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea

C17H22N4O2 — CID 97314632

IUPAC1-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea
SMILESCN(C)C[C@@H](NC(=O)Nc1ccc(=O)n(C)c1)c1ccccc1
InChIInChI=1S/C17H22N4O2/c1-20(2)12-15(13-7-5-4-6-8-13)19-17(23)18-14-9-10-16(22)21(3)11-14/h4-11,15H,12H2,1-3H3,(H2,18,19,23)/t15-/m1/s1
InChIKeyCYYXNQQEGRJKKQ-OAHLLOKOSA-N
MW314.39 g/mol
LogP1.81
Rot. Bonds5

About 1-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea

1-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea (PubChem CID 97314632) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea
PubChem CID97314632
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea
SMILESCN(C)C[C@@H](NC(=O)Nc1ccc(=O)n(C)c1)c1ccccc1
InChIInChI=1S/C17H22N4O2/c1-20(2)12-15(13-7-5-4-6-8-13)19-17(23)18-14-9-10-16(22)21(3)11-14/h4-11,15H,12H2,1-3H3,(H2,18,19,23)/t15-/m1/s1
InChIKeyCYYXNQQEGRJKKQ-OAHLLOKOSA-N
XLogP1.81
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 24528764
1-[2-(dimethylamino)-1-phenylethyl]-3-(4-nitrophenyl)urea
CID 86910236
N-(1-methyl-6-oxo-3-pyridinyl)-3,3-diphenylpropanamide
CID 75461898
N-[2-(dimethylamino)-1-phenylethyl]-3-(phenylcarbamoylamino)propanamide
CID 24504307
1-[(1S)-2-(diethylamino)-1-phenylethyl]-3-phenylurea
CID 8933297
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea
CID 78881535
N-[2-(dimethylamino)-1-phenylethyl]-1-methylindole-3-carboxamide
CID 24504351
1-[2-(dimethylamino)-1-phenylethyl]-3-(2-nitrophenyl)urea
CID 42919236
tert-butyl N-[5-[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]-2-fluorophenyl]carbamate
CID 86970318
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)urea
CID 112825287
1-(3-cyano-1-phenylpropyl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea
CID 146091357
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8936932

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea?
The IUPAC name of 1-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea (CID 97314632) is 1-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea is CN(C)C[C@@H](NC(=O)Nc1ccc(=O)n(C)c1)c1ccccc1.
What is the InChIKey of 1-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea?
The InChIKey is CYYXNQQEGRJKKQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20(2)12-15(13-7-5-4-6-8-13)19-17(23)18-14-9-10-16(22)21(3)11-14/h4-11,15H,12H2,1-3H3,(H2,18,19,23)/t15-/m1/s1.
What are the key properties of 1-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea?
1-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea has a molecular weight of 314.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-(1-methyl-6-oxo-3-pyridinyl)urea is sourced from PubChem (CID 97314632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).