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

C9H13N5O2 — CID 661800

IUPAC1-methyl-3-[6-(methylcarbamoylamino)-2-pyridinyl]urea
SMILESCNC(=O)Nc1cccc(NC(=O)NC)n1
InChIInChI=1S/C9H13N5O2/c1-10-8(15)13-6-4-3-5-7(12-6)14-9(16)11-2/h3-5H,1-2H3,(H4,10,11,12,13,14,15,16)
InChIKeyFMKILLURTAYPPN-UHFFFAOYSA-N
MW223.24 g/mol
LogP0.58
Rot. Bonds2

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

1-methyl-3-[6-(methylcarbamoylamino)-2-pyridinyl]urea (PubChem CID 661800) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-methyl-3-[6-(methylcarbamoylamino)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-methyl-3-[6-(methylcarbamoylamino)-2-pyridinyl]urea
PubChem CID661800
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name1-methyl-3-[6-(methylcarbamoylamino)-2-pyridinyl]urea
SMILESCNC(=O)Nc1cccc(NC(=O)NC)n1
InChIInChI=1S/C9H13N5O2/c1-10-8(15)13-6-4-3-5-7(12-6)14-9(16)11-2/h3-5H,1-2H3,(H4,10,11,12,13,14,15,16)
InChIKeyFMKILLURTAYPPN-UHFFFAOYSA-N
XLogP0.58
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[6-(methylcarbamoylamino)-2-pyridinyl]urea?
The IUPAC name of 1-methyl-3-[6-(methylcarbamoylamino)-2-pyridinyl]urea (CID 661800) is 1-methyl-3-[6-(methylcarbamoylamino)-2-pyridinyl]urea.
What is the SMILES notation for 1-methyl-3-[6-(methylcarbamoylamino)-2-pyridinyl]urea?
The canonical SMILES for 1-methyl-3-[6-(methylcarbamoylamino)-2-pyridinyl]urea is CNC(=O)Nc1cccc(NC(=O)NC)n1.
What is the InChIKey of 1-methyl-3-[6-(methylcarbamoylamino)-2-pyridinyl]urea?
The InChIKey is FMKILLURTAYPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-10-8(15)13-6-4-3-5-7(12-6)14-9(16)11-2/h3-5H,1-2H3,(H4,10,11,12,13,14,15,16).
What are the key properties of 1-methyl-3-[6-(methylcarbamoylamino)-2-pyridinyl]urea?
1-methyl-3-[6-(methylcarbamoylamino)-2-pyridinyl]urea has a molecular weight of 223.24 g/mol, XLogP of 0.58, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[6-(methylcarbamoylamino)-2-pyridinyl]urea is sourced from PubChem (CID 661800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).