1-(5-bromo-6-methyl-2-pyridinyl)-3-[(5-methyl-3-pyridinyl)methyl]urea

C14H15BrN4O — CID 99822609

IUPAC1-(5-bromo-6-methyl-2-pyridinyl)-3-[(5-methyl-3-pyridinyl)methyl]urea
SMILESCc1cncc(CNC(=O)Nc2ccc(Br)c(C)n2)c1
InChIInChI=1S/C14H15BrN4O/c1-9-5-11(7-16-6-9)8-17-14(20)19-13-4-3-12(15)10(2)18-13/h3-7H,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyWMJCHBMWXFNXHR-UHFFFAOYSA-N
MW335.21 g/mol
LogP3.18
Rot. Bonds3

About 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(5-methyl-3-pyridinyl)methyl]urea

1-(5-bromo-6-methyl-2-pyridinyl)-3-[(5-methyl-3-pyridinyl)methyl]urea (PubChem CID 99822609) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(5-methyl-3-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(5-bromo-6-methyl-2-pyridinyl)-3-[(5-methyl-3-pyridinyl)methyl]urea
PubChem CID99822609
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name1-(5-bromo-6-methyl-2-pyridinyl)-3-[(5-methyl-3-pyridinyl)methyl]urea
SMILESCc1cncc(CNC(=O)Nc2ccc(Br)c(C)n2)c1
InChIInChI=1S/C14H15BrN4O/c1-9-5-11(7-16-6-9)8-17-14(20)19-13-4-3-12(15)10(2)18-13/h3-7H,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyWMJCHBMWXFNXHR-UHFFFAOYSA-N
XLogP3.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea
CID 138691564
3-[(5-bromo-6-methyl-2-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122089989
1-(5-bromo-6-methyl-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
CID 99623557
N-(5-bromo-6-methyl-2-pyridinyl)-2,4,6-trimethylbenzamide
CID 79048667
(2R)-2-amino-N-[(5-methyl-3-pyridinyl)methyl]propanamide
CID 131176705
N-(5-bromo-6-methyl-2-pyridinyl)pentanamide
CID 2996808
3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-5-methylbenzamide
CID 113460607
2-bromo-N-(5-bromo-6-methyl-2-pyridinyl)propanamide
CID 107905424
2-amino-N-(5-bromo-6-methyl-2-pyridinyl)-2-ethylbutanamide
CID 79814305
N-(5-bromo-6-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79048808
N-(5-bromo-6-methyl-2-pyridinyl)-2,2-dimethylbutanamide
CID 69165507
N-(5-bromo-6-methyl-2-pyridinyl)-2-(4-methylphenoxy)acetamide
CID 925711

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(5-methyl-3-pyridinyl)methyl]urea?
The IUPAC name of 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(5-methyl-3-pyridinyl)methyl]urea (CID 99822609) is 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(5-methyl-3-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(5-methyl-3-pyridinyl)methyl]urea?
The canonical SMILES for 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(5-methyl-3-pyridinyl)methyl]urea is Cc1cncc(CNC(=O)Nc2ccc(Br)c(C)n2)c1.
What is the InChIKey of 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(5-methyl-3-pyridinyl)methyl]urea?
The InChIKey is WMJCHBMWXFNXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-9-5-11(7-16-6-9)8-17-14(20)19-13-4-3-12(15)10(2)18-13/h3-7H,8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(5-methyl-3-pyridinyl)methyl]urea?
1-(5-bromo-6-methyl-2-pyridinyl)-3-[(5-methyl-3-pyridinyl)methyl]urea has a molecular weight of 335.21 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(5-methyl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 99822609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).