1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea

C14H23N3O3 — CID 91660293

IUPAC1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
SMILESCc1ccn(C)c(=O)c1NC(=O)N[C@H](CO)C(C)(C)C
InChIInChI=1S/C14H23N3O3/c1-9-6-7-17(5)12(19)11(9)16-13(20)15-10(8-18)14(2,3)4/h6-7,10,18H,8H2,1-5H3,(H2,15,16,20)/t10-/m1/s1
InChIKeyKIUQWOUAOGHLGN-SNVBAGLBSA-N
MW281.36 g/mol
LogP1.22
Rot. Bonds3

About 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea

1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea (PubChem CID 91660293) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea.

Molecular Properties

Compound Name1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
PubChem CID91660293
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
SMILESCc1ccn(C)c(=O)c1NC(=O)N[C@H](CO)C(C)(C)C
InChIInChI=1S/C14H23N3O3/c1-9-6-7-17(5)12(19)11(9)16-13(20)15-10(8-18)14(2,3)4/h6-7,10,18H,8H2,1-5H3,(H2,15,16,20)/t10-/m1/s1
InChIKeyKIUQWOUAOGHLGN-SNVBAGLBSA-N
XLogP1.22
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea with MolForge

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Related Compounds

4-tert-butylsulfanyl-N-(1,4-dimethyl-2-oxo-3-pyridinyl)butanamide
CID 84589481
1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 110027288
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methylphenoxy)propanamide
CID 154864064
1-(3-formyl-2-methylphenyl)-3-(1-hydroxy-3,3-dimethylbutan-2-yl)urea
CID 90106150
1-(3-chlorophenyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
CID 96504157
(3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-(2-methylphenyl)phenyl]propanoic acid
CID 135366500
3-bromo-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-5-methylbenzamide
CID 122143078
1-(4-tert-butylpyrimidin-2-yl)-3-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]urea
CID 164637913
1-(1-hydroxy-3,3-dimethylbutan-2-yl)-3-[4-(methoxymethyl)pyrimidin-2-yl]urea
CID 136572865
N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-propan-2-ylpiperidine-1-carboxamide
CID 86803953
1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-[3-[(R)-methylsulfinyl]phenyl]urea
CID 99777248
1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S,3R)-1-methyl-2-phenylpyrrolidin-3-yl]urea
CID 124829856

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea?
The IUPAC name of 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea (CID 91660293) is 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea.
What is the SMILES notation for 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea?
The canonical SMILES for 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea is Cc1ccn(C)c(=O)c1NC(=O)N[C@H](CO)C(C)(C)C.
What is the InChIKey of 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea?
The InChIKey is KIUQWOUAOGHLGN-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9-6-7-17(5)12(19)11(9)16-13(20)15-10(8-18)14(2,3)4/h6-7,10,18H,8H2,1-5H3,(H2,15,16,20)/t10-/m1/s1.
What are the key properties of 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea?
1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea has a molecular weight of 281.36 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-2-oxo-3-pyridinyl)-3-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]urea is sourced from PubChem (CID 91660293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).