1,3-bis(6-methyl-3-pyridinyl)urea

C13H14N4O — CID 102308841

IUPAC1,3-bis(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C)nc2)cn1
InChIInChI=1S/C13H14N4O/c1-9-3-5-11(7-14-9)16-13(18)17-12-6-4-10(2)15-8-12/h3-8H,1-2H3,(H2,16,17,18)
InChIKeyVDWMYCNYBDTJPL-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.74
Rot. Bonds2

About 1,3-bis(6-methyl-3-pyridinyl)urea

1,3-bis(6-methyl-3-pyridinyl)urea (PubChem CID 102308841) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1,3-bis(6-methyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1,3-bis(6-methyl-3-pyridinyl)urea
PubChem CID102308841
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name1,3-bis(6-methyl-3-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(C)nc2)cn1
InChIInChI=1S/C13H14N4O/c1-9-3-5-11(7-14-9)16-13(18)17-12-6-4-10(2)15-8-12/h3-8H,1-2H3,(H2,16,17,18)
InChIKeyVDWMYCNYBDTJPL-UHFFFAOYSA-N
XLogP2.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
1-(3-hydroxyphenyl)-3-(6-methyl-3-pyridinyl)urea
CID 108895931
1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887535
3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743784
1-(2,5-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea
CID 108886244
N-fluoro-2-[(6-methyl-3-pyridinyl)carbamoylamino]acetamide
CID 144801403
(2S)-2-hydroxy-3-[(6-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107840624
(2R)-3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoylamino]butanoic acid
CID 103928206
1-(1,1-dioxo-1-benzothiophen-6-yl)-3-(6-methyl-3-pyridinyl)urea
CID 178016655
6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477101
1-[(E)-2-(4-fluorophenyl)ethenyl]-3-(6-methyl-3-pyridinyl)urea
CID 108908260
4-iodo-N-(6-methyl-3-pyridinyl)benzamide
CID 59706920

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(6-methyl-3-pyridinyl)urea?
The IUPAC name of 1,3-bis(6-methyl-3-pyridinyl)urea (CID 102308841) is 1,3-bis(6-methyl-3-pyridinyl)urea.
What is the SMILES notation for 1,3-bis(6-methyl-3-pyridinyl)urea?
The canonical SMILES for 1,3-bis(6-methyl-3-pyridinyl)urea is Cc1ccc(NC(=O)Nc2ccc(C)nc2)cn1.
What is the InChIKey of 1,3-bis(6-methyl-3-pyridinyl)urea?
The InChIKey is VDWMYCNYBDTJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9-3-5-11(7-14-9)16-13(18)17-12-6-4-10(2)15-8-12/h3-8H,1-2H3,(H2,16,17,18).
What are the key properties of 1,3-bis(6-methyl-3-pyridinyl)urea?
1,3-bis(6-methyl-3-pyridinyl)urea has a molecular weight of 242.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(6-methyl-3-pyridinyl)urea is sourced from PubChem (CID 102308841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).