1-[(6-chloro-3-pyridinyl)methyl-methylamino]ethylideneurea

C10H13ClN4O — CID 73325014

IUPAC1-[(6-chloro-3-pyridinyl)methyl-methylamino]ethylideneurea
SMILESCC(=NC(N)=O)N(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN4O/c1-7(14-10(12)16)15(2)6-8-3-4-9(11)13-5-8/h3-5H,6H2,1-2H3,(H2,12,16)
InChIKeyISBUGOZWWNMPPC-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.66
Rot. Bonds2

About 1-[(6-chloro-3-pyridinyl)methyl-methylamino]ethylideneurea

1-[(6-chloro-3-pyridinyl)methyl-methylamino]ethylideneurea (PubChem CID 73325014) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)methyl-methylamino]ethylideneurea.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)methyl-methylamino]ethylideneurea
PubChem CID73325014
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name1-[(6-chloro-3-pyridinyl)methyl-methylamino]ethylideneurea
SMILESCC(=NC(N)=O)N(C)Cc1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN4O/c1-7(14-10(12)16)15(2)6-8-3-4-9(11)13-5-8/h3-5H,6H2,1-2H3,(H2,12,16)
InChIKeyISBUGOZWWNMPPC-UHFFFAOYSA-N
XLogP1.66
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl-methylamino]ethylideneurea?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)methyl-methylamino]ethylideneurea (CID 73325014) is 1-[(6-chloro-3-pyridinyl)methyl-methylamino]ethylideneurea.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)methyl-methylamino]ethylideneurea?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)methyl-methylamino]ethylideneurea is CC(=NC(N)=O)N(C)Cc1ccc(Cl)nc1.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)methyl-methylamino]ethylideneurea?
The InChIKey is ISBUGOZWWNMPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-7(14-10(12)16)15(2)6-8-3-4-9(11)13-5-8/h3-5H,6H2,1-2H3,(H2,12,16).
What are the key properties of 1-[(6-chloro-3-pyridinyl)methyl-methylamino]ethylideneurea?
1-[(6-chloro-3-pyridinyl)methyl-methylamino]ethylideneurea has a molecular weight of 240.69 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)methyl-methylamino]ethylideneurea is sourced from PubChem (CID 73325014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).