1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea

C11H17N3O — CID 15665739

IUPAC1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
SMILESCC(C)(C)CNC(=O)Nc1cccnc1
InChIInChI=1S/C11H17N3O/c1-11(2,3)8-13-10(15)14-9-5-4-6-12-7-9/h4-7H,8H2,1-3H3,(H2,13,14,15)
InChIKeyUFQVSGOEEBHKPE-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.25
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea

1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea (PubChem CID 15665739) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
PubChem CID15665739
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
SMILESCC(C)(C)CNC(=O)Nc1cccnc1
InChIInChI=1S/C11H17N3O/c1-11(2,3)8-13-10(15)14-9-5-4-6-12-7-9/h4-7H,8H2,1-3H3,(H2,13,14,15)
InChIKeyUFQVSGOEEBHKPE-UHFFFAOYSA-N
XLogP2.25
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-2,3-dimethylpentyl)-3-pyridin-3-ylurea
CID 111119402
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea
CID 111473834
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643
1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea
CID 111519668
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253
1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea
CID 70456930
1-(cyclopentylmethyl)-3-pyridin-3-ylurea
CID 47166711
1-[(2-ethoxy-3-pyridinyl)methyl]-3-pyridin-3-ylurea
CID 47159517
1-[(4-methylphenoxy)methyl]-3-pyridin-3-ylurea
CID 108892981
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea (CID 15665739) is 1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea is CC(C)(C)CNC(=O)Nc1cccnc1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea?
The InChIKey is UFQVSGOEEBHKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(2,3)8-13-10(15)14-9-5-4-6-12-7-9/h4-7H,8H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea?
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea has a molecular weight of 207.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 15665739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).