1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea

C12H10Cl2N4O — CID 107654059

IUPAC1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea
SMILESNc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C12H10Cl2N4O/c13-7-3-8(14)5-10(4-7)18-12(19)17-9-1-2-11(15)16-6-9/h1-6H,(H2,15,16)(H2,17,18,19)
InChIKeyXWNODGMHWRLGDJ-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.61
Rot. Bonds2

About 1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea

1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea (PubChem CID 107654059) has the molecular formula C12H10Cl2N4O and a molecular weight of 297.15 g/mol. Its IUPAC name is 1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea
PubChem CID107654059
Molecular FormulaC12H10Cl2N4O
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea
SMILESNc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cn1
InChIInChI=1S/C12H10Cl2N4O/c13-7-3-8(14)5-10(4-7)18-12(19)17-9-1-2-11(15)16-6-9/h1-6H,(H2,15,16)(H2,17,18,19)
InChIKeyXWNODGMHWRLGDJ-UHFFFAOYSA-N
XLogP3.61
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-amino-3-pyridinyl)-2-bromo-4-chlorobenzamide
CID 103806405
N-(6-amino-3-pyridinyl)-3-chlorobenzamide
CID 62899569
N-(6-amino-3-pyridinyl)-4-chloro-2-hydroxybenzamide
CID 55132975
1-(3-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652923
N-(6-amino-3-pyridinyl)-5-chloro-2-iodobenzamide
CID 113265570
1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652978
N-(6-amino-3-pyridinyl)-3,5-dichlorobenzenesulfonamide
CID 55025804
N-(6-amino-3-pyridinyl)hydroxylamine
CID 143484330
1-(4-aminooxy-3-chlorophenyl)-3-(3,5-dichlorophenyl)urea
CID 90211641
N-(3,5-dichlorophenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639754
1-(2,1,3-benzoxadiazol-5-yl)-3-(3,5-dichlorophenyl)urea
CID 167797088
1-(3,5-dibromophenyl)-3-(3,5-dichlorophenyl)urea
CID 175721758

Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea?
The IUPAC name of 1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea (CID 107654059) is 1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea.
What is the SMILES notation for 1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea?
The canonical SMILES for 1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea is Nc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cn1.
What is the InChIKey of 1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea?
The InChIKey is XWNODGMHWRLGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O/c13-7-3-8(14)5-10(4-7)18-12(19)17-9-1-2-11(15)16-6-9/h1-6H,(H2,15,16)(H2,17,18,19).
What are the key properties of 1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea?
1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea has a molecular weight of 297.15 g/mol, XLogP of 3.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-3-pyridinyl)-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 107654059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).