1-[(6-cyano-4-methyl-2-pyridinyl)amino]-3-(2,6-dichloro-4-pyridinyl)urea

C13H10Cl2N6O — CID 164623744

IUPAC1-[(6-cyano-4-methyl-2-pyridinyl)amino]-3-(2,6-dichloro-4-pyridinyl)urea
SMILESCc1cc(C#N)nc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)c1
InChIInChI=1S/C13H10Cl2N6O/c1-7-2-9(6-16)17-12(3-7)20-21-13(22)18-8-4-10(14)19-11(15)5-8/h2-5H,1H3,(H,17,20)(H2,18,19,21,22)
InChIKeyUFMYVRMPQBBIOR-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.11
Rot. Bonds3

About 1-[(6-cyano-4-methyl-2-pyridinyl)amino]-3-(2,6-dichloro-4-pyridinyl)urea

1-[(6-cyano-4-methyl-2-pyridinyl)amino]-3-(2,6-dichloro-4-pyridinyl)urea (PubChem CID 164623744) has the molecular formula C13H10Cl2N6O and a molecular weight of 337.17 g/mol. Its IUPAC name is 1-[(6-cyano-4-methyl-2-pyridinyl)amino]-3-(2,6-dichloro-4-pyridinyl)urea.

Molecular Properties

Compound Name1-[(6-cyano-4-methyl-2-pyridinyl)amino]-3-(2,6-dichloro-4-pyridinyl)urea
PubChem CID164623744
Molecular FormulaC13H10Cl2N6O
Molecular Weight337.17 g/mol
Exact Mass336.03
IUPAC Name1-[(6-cyano-4-methyl-2-pyridinyl)amino]-3-(2,6-dichloro-4-pyridinyl)urea
SMILESCc1cc(C#N)nc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)c1
InChIInChI=1S/C13H10Cl2N6O/c1-7-2-9(6-16)17-12(3-7)20-21-13(22)18-8-4-10(14)19-11(15)5-8/h2-5H,1H3,(H,17,20)(H2,18,19,21,22)
InChIKeyUFMYVRMPQBBIOR-UHFFFAOYSA-N
XLogP3.11
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(6-cyano-4-methyl-2-pyridinyl)amino]-3-(2,6-dichloro-4-pyridinyl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyano-4-methyl-2-pyridinyl)amino]-3-(2,6-dichloro-4-pyridinyl)urea?
The IUPAC name of 1-[(6-cyano-4-methyl-2-pyridinyl)amino]-3-(2,6-dichloro-4-pyridinyl)urea (CID 164623744) is 1-[(6-cyano-4-methyl-2-pyridinyl)amino]-3-(2,6-dichloro-4-pyridinyl)urea.
What is the SMILES notation for 1-[(6-cyano-4-methyl-2-pyridinyl)amino]-3-(2,6-dichloro-4-pyridinyl)urea?
The canonical SMILES for 1-[(6-cyano-4-methyl-2-pyridinyl)amino]-3-(2,6-dichloro-4-pyridinyl)urea is Cc1cc(C#N)nc(NNC(=O)Nc2cc(Cl)nc(Cl)c2)c1.
What is the InChIKey of 1-[(6-cyano-4-methyl-2-pyridinyl)amino]-3-(2,6-dichloro-4-pyridinyl)urea?
The InChIKey is UFMYVRMPQBBIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N6O/c1-7-2-9(6-16)17-12(3-7)20-21-13(22)18-8-4-10(14)19-11(15)5-8/h2-5H,1H3,(H,17,20)(H2,18,19,21,22).
What are the key properties of 1-[(6-cyano-4-methyl-2-pyridinyl)amino]-3-(2,6-dichloro-4-pyridinyl)urea?
1-[(6-cyano-4-methyl-2-pyridinyl)amino]-3-(2,6-dichloro-4-pyridinyl)urea has a molecular weight of 337.17 g/mol, XLogP of 3.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-cyano-4-methyl-2-pyridinyl)amino]-3-(2,6-dichloro-4-pyridinyl)urea is sourced from PubChem (CID 164623744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).