1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea

C15H14N4O — CID 18582270

IUPAC1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)Nc2c[nH]c3ccccc23)n1
InChIInChI=1S/C15H14N4O/c1-10-5-4-8-14(17-10)19-15(20)18-13-9-16-12-7-3-2-6-11(12)13/h2-9,16H,1H3,(H2,17,18,19,20)
InChIKeyHJGACJPZTNZPII-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.52
Rot. Bonds2

About 1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea

1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea (PubChem CID 18582270) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea
PubChem CID18582270
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea
SMILESCc1cccc(NC(=O)Nc2c[nH]c3ccccc23)n1
InChIInChI=1S/C15H14N4O/c1-10-5-4-8-14(17-10)19-15(20)18-13-9-16-12-7-3-2-6-11(12)13/h2-9,16H,1H3,(H2,17,18,19,20)
InChIKeyHJGACJPZTNZPII-UHFFFAOYSA-N
XLogP3.52
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 108871496
1H-indol-3-ylcarbamic acid
CID 66672709
1-(2,4-dimethylphenyl)-3-(1H-indol-3-yl)urea
CID 7616071
1-[(2R)-2-hydroxypropyl]-3-(1H-indol-3-yl)urea
CID 7615942
1-benzyl-3-(1H-indol-3-yl)urea
CID 7615984
2-(2-methyl-1H-indol-3-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 31903883
4-(1H-indol-3-yl)-2-methyl-N-(6-methyl-2-pyridinyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 23917074
1-(6-methyl-2-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887379
1-(3-methylphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 6468393
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
1-(2,4-dimethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 769338
1-(6-cyano-3-pyridinyl)-3-(1H-indol-3-yl)urea
CID 121264494

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea (CID 18582270) is 1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea is Cc1cccc(NC(=O)Nc2c[nH]c3ccccc23)n1.
What is the InChIKey of 1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea?
The InChIKey is HJGACJPZTNZPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-5-4-8-14(17-10)19-15(20)18-13-9-16-12-7-3-2-6-11(12)13/h2-9,16H,1H3,(H2,17,18,19,20).
What are the key properties of 1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea?
1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea has a molecular weight of 266.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-3-(6-methyl-2-pyridinyl)urea is sourced from PubChem (CID 18582270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).