1-[6-(methylamino)-3-pyridinyl]-3-phenylurea

C13H14N4O — CID 115268499

IUPAC1-[6-(methylamino)-3-pyridinyl]-3-phenylurea
SMILESCNc1ccc(NC(=O)Nc2ccccc2)cn1
InChIInChI=1S/C13H14N4O/c1-14-12-8-7-11(9-15-12)17-13(18)16-10-5-3-2-4-6-10/h2-9H,1H3,(H,14,15)(H2,16,17,18)
InChIKeyWTZLZYLZOWSDNB-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.77
Rot. Bonds3

About 1-[6-(methylamino)-3-pyridinyl]-3-phenylurea

1-[6-(methylamino)-3-pyridinyl]-3-phenylurea (PubChem CID 115268499) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-[6-(methylamino)-3-pyridinyl]-3-phenylurea.

Molecular Properties

Compound Name1-[6-(methylamino)-3-pyridinyl]-3-phenylurea
PubChem CID115268499
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name1-[6-(methylamino)-3-pyridinyl]-3-phenylurea
SMILESCNc1ccc(NC(=O)Nc2ccccc2)cn1
InChIInChI=1S/C13H14N4O/c1-14-12-8-7-11(9-15-12)17-13(18)16-10-5-3-2-4-6-10/h2-9H,1H3,(H,14,15)(H2,16,17,18)
InChIKeyWTZLZYLZOWSDNB-UHFFFAOYSA-N
XLogP2.77
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-3-[6-(methylamino)-3-pyridinyl]urea
CID 146121634
1-phenyl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009091
1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea
CID 113019226
[6-(methylamino)-3-pyridinyl]urea
CID 130725566
1-[6-(cyclohexylamino)-3-pyridinyl]-3-phenylurea
CID 113010098
1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea
CID 113017398
1-[5-(butylamino)-2-pyridinyl]-3-phenylurea
CID 113024016
1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113020117
1-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]-3-phenylurea
CID 113012390
1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
CID 113012942
1-[6-(2-ethyl-6-methylanilino)-3-pyridinyl]-3-phenylurea
CID 113017689
1-[6-(2-bromo-4-methylanilino)-3-pyridinyl]-3-phenylurea
CID 113021474

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methylamino)-3-pyridinyl]-3-phenylurea?
The IUPAC name of 1-[6-(methylamino)-3-pyridinyl]-3-phenylurea (CID 115268499) is 1-[6-(methylamino)-3-pyridinyl]-3-phenylurea.
What is the SMILES notation for 1-[6-(methylamino)-3-pyridinyl]-3-phenylurea?
The canonical SMILES for 1-[6-(methylamino)-3-pyridinyl]-3-phenylurea is CNc1ccc(NC(=O)Nc2ccccc2)cn1.
What is the InChIKey of 1-[6-(methylamino)-3-pyridinyl]-3-phenylurea?
The InChIKey is WTZLZYLZOWSDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-14-12-8-7-11(9-15-12)17-13(18)16-10-5-3-2-4-6-10/h2-9H,1H3,(H,14,15)(H2,16,17,18).
What are the key properties of 1-[6-(methylamino)-3-pyridinyl]-3-phenylurea?
1-[6-(methylamino)-3-pyridinyl]-3-phenylurea has a molecular weight of 242.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methylamino)-3-pyridinyl]-3-phenylurea is sourced from PubChem (CID 115268499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).