1-methyl-3-(3-methyl-4-pyridinyl)urea

C8H11N3O — CID 103881209

IUPAC1-methyl-3-(3-methyl-4-pyridinyl)urea
SMILESCNC(=O)Nc1ccncc1C
InChIInChI=1S/C8H11N3O/c1-6-5-10-4-3-7(6)11-8(12)9-2/h3-5H,1-2H3,(H2,9,10,11,12)
InChIKeyGXMIPRCZWUIUKC-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.14
Rot. Bonds1

About 1-methyl-3-(3-methyl-4-pyridinyl)urea

1-methyl-3-(3-methyl-4-pyridinyl)urea (PubChem CID 103881209) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-methyl-3-(3-methyl-4-pyridinyl)urea.

Molecular Properties

Compound Name1-methyl-3-(3-methyl-4-pyridinyl)urea
PubChem CID103881209
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-methyl-3-(3-methyl-4-pyridinyl)urea
SMILESCNC(=O)Nc1ccncc1C
InChIInChI=1S/C8H11N3O/c1-6-5-10-4-3-7(6)11-8(12)9-2/h3-5H,1-2H3,(H2,9,10,11,12)
InChIKeyGXMIPRCZWUIUKC-UHFFFAOYSA-N
XLogP1.14
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881214
1-butyl-3-(3-methyl-4-pyridinyl)urea
CID 103881201
2-chloro-N-(3-methyl-4-pyridinyl)acetamide
CID 63669851
2-amino-3-methyl-N-(3-methyl-4-pyridinyl)butanamide
CID 77004212
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
1-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]urea
CID 2726846
2-(ethylamino)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671038
4-hydrazinyl-N-(3-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 81249230
1-[4-(methoxymethyl)phenyl]-3-(3-methyl-4-pyridinyl)urea
CID 119049795
4-methyl-4-[(3-methyl-4-pyridinyl)carbamoylamino]pentanoic acid
CID 122088445
2-amino-2-(4-methylphenyl)-N-(3-methyl-4-pyridinyl)acetamide
CID 106151710
3-(ethylamino)-2-methyl-N-(3-methyl-4-pyridinyl)propanamide
CID 63672051

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methyl-4-pyridinyl)urea?
The IUPAC name of 1-methyl-3-(3-methyl-4-pyridinyl)urea (CID 103881209) is 1-methyl-3-(3-methyl-4-pyridinyl)urea.
What is the SMILES notation for 1-methyl-3-(3-methyl-4-pyridinyl)urea?
The canonical SMILES for 1-methyl-3-(3-methyl-4-pyridinyl)urea is CNC(=O)Nc1ccncc1C.
What is the InChIKey of 1-methyl-3-(3-methyl-4-pyridinyl)urea?
The InChIKey is GXMIPRCZWUIUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6-5-10-4-3-7(6)11-8(12)9-2/h3-5H,1-2H3,(H2,9,10,11,12).
What are the key properties of 1-methyl-3-(3-methyl-4-pyridinyl)urea?
1-methyl-3-(3-methyl-4-pyridinyl)urea has a molecular weight of 165.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methyl-4-pyridinyl)urea is sourced from PubChem (CID 103881209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).