1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea

C11H17N5O — CID 70456930

IUPAC1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea
SMILESCC(C)(C)/N=C(\N)NC(=O)Nc1cccnc1
InChIInChI=1S/C11H17N5O/c1-11(2,3)16-9(12)15-10(17)14-8-5-4-6-13-7-8/h4-7H,1-3H3,(H4,12,14,15,16,17)
InChIKeyGUFCOAKZYRZAAB-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.32
Rot. Bonds1

About 1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea

1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea (PubChem CID 70456930) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea
PubChem CID70456930
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea
SMILESCC(C)(C)/N=C(\N)NC(=O)Nc1cccnc1
InChIInChI=1S/C11H17N5O/c1-11(2,3)16-9(12)15-10(17)14-8-5-4-6-13-7-8/h4-7H,1-3H3,(H4,12,14,15,16,17)
InChIKeyGUFCOAKZYRZAAB-UHFFFAOYSA-N
XLogP1.32
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(N'-tert-butylcarbamimidoyl)-3-pyridin-4-ylurea
CID 70456473
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-(4-hydroxy-2-methylbutan-2-yl)-3-pyridin-3-ylurea
CID 111519668
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
boric acid;pyridin-3-ylurea
CID 175497836
2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 62487672
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
1-pyridin-3-yl-2-(trifluoromethylsulfonyl)guanidine
CID 18770585

Frequently Asked Questions

What is the IUPAC name of 1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea (CID 70456930) is 1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea is CC(C)(C)/N=C(\N)NC(=O)Nc1cccnc1.
What is the InChIKey of 1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea?
The InChIKey is GUFCOAKZYRZAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-11(2,3)16-9(12)15-10(17)14-8-5-4-6-13-7-8/h4-7H,1-3H3,(H4,12,14,15,16,17).
What are the key properties of 1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea?
1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea has a molecular weight of 235.29 g/mol, XLogP of 1.32, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 70456930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).