1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(3-methyl-2-pyridinyl)urea

C14H23N3O2 — CID 47076625

IUPAC1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(3-methyl-2-pyridinyl)urea
SMILESCc1cccnc1NC(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C14H23N3O2/c1-10-6-5-8-15-12(10)17-13(19)16-11(7-9-18)14(2,3)4/h5-6,8,11,18H,7,9H2,1-4H3,(H2,15,16,17,19)
InChIKeyPVWSTJHAZZQQRA-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.31
Rot. Bonds4

About 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(3-methyl-2-pyridinyl)urea

1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(3-methyl-2-pyridinyl)urea (PubChem CID 47076625) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(3-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(3-methyl-2-pyridinyl)urea
PubChem CID47076625
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(3-methyl-2-pyridinyl)urea
SMILESCc1cccnc1NC(=O)NC(CCO)C(C)(C)C
InChIInChI=1S/C14H23N3O2/c1-10-6-5-8-15-12(10)17-13(19)16-11(7-9-18)14(2,3)4/h5-6,8,11,18H,7,9H2,1-4H3,(H2,15,16,17,19)
InChIKeyPVWSTJHAZZQQRA-UHFFFAOYSA-N
XLogP2.31
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(3-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(3-methyl-2-pyridinyl)urea (CID 47076625) is 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(3-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(3-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(3-methyl-2-pyridinyl)urea is Cc1cccnc1NC(=O)NC(CCO)C(C)(C)C.
What is the InChIKey of 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(3-methyl-2-pyridinyl)urea?
The InChIKey is PVWSTJHAZZQQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-6-5-8-15-12(10)17-13(19)16-11(7-9-18)14(2,3)4/h5-6,8,11,18H,7,9H2,1-4H3,(H2,15,16,17,19).
What are the key properties of 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(3-methyl-2-pyridinyl)urea?
1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(3-methyl-2-pyridinyl)urea has a molecular weight of 265.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(3-methyl-2-pyridinyl)urea is sourced from PubChem (CID 47076625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).