1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea

C12H12N4O — CID 108865035

IUPAC1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
SMILESCc1ccc(NC(=O)Nc2cccnc2)cn1
InChIInChI=1S/C12H12N4O/c1-9-4-5-11(8-14-9)16-12(17)15-10-3-2-6-13-7-10/h2-8H,1H3,(H2,15,16,17)
InChIKeyLVWVJBRUCWEYCG-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.43
Rot. Bonds2

About 1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea

1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea (PubChem CID 108865035) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
PubChem CID108865035
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
SMILESCc1ccc(NC(=O)Nc2cccnc2)cn1
InChIInChI=1S/C12H12N4O/c1-9-4-5-11(8-14-9)16-12(17)15-10-3-2-6-13-7-10/h2-8H,1H3,(H2,15,16,17)
InChIKeyLVWVJBRUCWEYCG-UHFFFAOYSA-N
XLogP2.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
1-(3-hydroxyphenyl)-3-(6-methyl-3-pyridinyl)urea
CID 108895931
1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea
CID 10561311
1-(4-methylsulfanylphenyl)-3-pyridin-3-ylurea
CID 15549386
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743784
1-(4-fluoro-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126026
1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904
1-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylurea
CID 47129987

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea (CID 108865035) is 1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea is Cc1ccc(NC(=O)Nc2cccnc2)cn1.
What is the InChIKey of 1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea?
The InChIKey is LVWVJBRUCWEYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-9-4-5-11(8-14-9)16-12(17)15-10-3-2-6-13-7-10/h2-8H,1H3,(H2,15,16,17).
What are the key properties of 1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea?
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea has a molecular weight of 228.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 108865035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).