1-carbamoyl-1-methyl-3-(3-methyl-2-pyridinyl)urea

C9H12N4O2 — CID 3038373

IUPAC1-carbamoyl-1-methyl-3-(3-methyl-2-pyridinyl)urea
SMILESCc1cccnc1NC(=O)N(C)C(N)=O
InChIInChI=1S/C9H12N4O2/c1-6-4-3-5-11-7(6)12-9(15)13(2)8(10)14/h3-5H,1-2H3,(H2,10,14)(H,11,12,15)
InChIKeyHRBFZDYCQMUEDX-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.93
Rot. Bonds1

About 1-carbamoyl-1-methyl-3-(3-methyl-2-pyridinyl)urea

1-carbamoyl-1-methyl-3-(3-methyl-2-pyridinyl)urea (PubChem CID 3038373) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-carbamoyl-1-methyl-3-(3-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-carbamoyl-1-methyl-3-(3-methyl-2-pyridinyl)urea
PubChem CID3038373
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name1-carbamoyl-1-methyl-3-(3-methyl-2-pyridinyl)urea
SMILESCc1cccnc1NC(=O)N(C)C(N)=O
InChIInChI=1S/C9H12N4O2/c1-6-4-3-5-11-7(6)12-9(15)13(2)8(10)14/h3-5H,1-2H3,(H2,10,14)(H,11,12,15)
InChIKeyHRBFZDYCQMUEDX-UHFFFAOYSA-N
XLogP0.93
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-1-methyl-3-(3-methyl-2-pyridinyl)urea?
The IUPAC name of 1-carbamoyl-1-methyl-3-(3-methyl-2-pyridinyl)urea (CID 3038373) is 1-carbamoyl-1-methyl-3-(3-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-carbamoyl-1-methyl-3-(3-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-carbamoyl-1-methyl-3-(3-methyl-2-pyridinyl)urea is Cc1cccnc1NC(=O)N(C)C(N)=O.
What is the InChIKey of 1-carbamoyl-1-methyl-3-(3-methyl-2-pyridinyl)urea?
The InChIKey is HRBFZDYCQMUEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-6-4-3-5-11-7(6)12-9(15)13(2)8(10)14/h3-5H,1-2H3,(H2,10,14)(H,11,12,15).
What are the key properties of 1-carbamoyl-1-methyl-3-(3-methyl-2-pyridinyl)urea?
1-carbamoyl-1-methyl-3-(3-methyl-2-pyridinyl)urea has a molecular weight of 208.22 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyl-1-methyl-3-(3-methyl-2-pyridinyl)urea is sourced from PubChem (CID 3038373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).