1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea

C12H12N4O — CID 10561311

IUPAC1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea
SMILESCc1cccc(NC(=O)Nc2cccnc2)n1
InChIInChI=1S/C12H12N4O/c1-9-4-2-6-11(14-9)16-12(17)15-10-5-3-7-13-8-10/h2-8H,1H3,(H2,14,15,16,17)
InChIKeyNJXJISWPGNGATI-UHFFFAOYSA-N
MW228.26 g/mol
LogP2.43
Rot. Bonds2

About 1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea

1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea (PubChem CID 10561311) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea
PubChem CID10561311
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea
SMILESCc1cccc(NC(=O)Nc2cccnc2)n1
InChIInChI=1S/C12H12N4O/c1-9-4-2-6-11(14-9)16-12(17)15-10-5-3-7-13-8-10/h2-8H,1H3,(H2,14,15,16,17)
InChIKeyNJXJISWPGNGATI-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 ≤ 500228.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 6468393
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylurea
CID 47129987
1-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)urea
CID 6465275
1-(4-methylsulfanylphenyl)-3-pyridin-3-ylurea
CID 15549386
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
1-[3-(1-aminoethyl)phenyl]-3-(6-methyl-2-pyridinyl)urea
CID 61339473
1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 108871496
1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea
CID 61339471
1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253
1-(6-methyl-2-pyridinyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)urea
CID 18771694

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea (CID 10561311) is 1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea is Cc1cccc(NC(=O)Nc2cccnc2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea?
The InChIKey is NJXJISWPGNGATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-9-4-2-6-11(14-9)16-12(17)15-10-5-3-7-13-8-10/h2-8H,1H3,(H2,14,15,16,17).
What are the key properties of 1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea?
1-(6-methyl-2-pyridinyl)-3-pyridin-3-ylurea has a molecular weight of 228.26 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-2-pyridinyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 10561311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).