1-(dimethylamino)-3-pyridin-3-ylurea

C8H12N4O — CID 123360253

IUPAC1-(dimethylamino)-3-pyridin-3-ylurea
SMILESCN(C)NC(=O)Nc1cccnc1
InChIInChI=1S/C8H12N4O/c1-12(2)11-8(13)10-7-4-3-5-9-6-7/h3-6H,1-2H3,(H2,10,11,13)
InChIKeyNLZBXGDYGPCJCK-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.68
Rot. Bonds2

About 1-(dimethylamino)-3-pyridin-3-ylurea

1-(dimethylamino)-3-pyridin-3-ylurea (PubChem CID 123360253) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(dimethylamino)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(dimethylamino)-3-pyridin-3-ylurea
PubChem CID123360253
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name1-(dimethylamino)-3-pyridin-3-ylurea
SMILESCN(C)NC(=O)Nc1cccnc1
InChIInChI=1S/C8H12N4O/c1-12(2)11-8(13)10-7-4-3-5-9-6-7/h3-6H,1-2H3,(H2,10,11,13)
InChIKeyNLZBXGDYGPCJCK-UHFFFAOYSA-N
XLogP0.68
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
1-(2-methylpyrazol-3-yl)-3-pyridin-3-ylurea
CID 108813744
1-anilino-3-pyridin-3-ylurea
CID 47127655
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
1-(4-methylsulfanylphenyl)-3-pyridin-3-ylurea
CID 15549386
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
1-(4-bromo-2-methylphenyl)-3-pyridin-3-ylurea
CID 47126030
1,1-diethyl-3-methylurea;ethane;1-methyl-3-pyridin-3-ylurea
CID 143767682
1-ethyl-1-hydroxy-3-pyridin-3-ylurea
CID 130385554

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-pyridin-3-ylurea?
The IUPAC name of 1-(dimethylamino)-3-pyridin-3-ylurea (CID 123360253) is 1-(dimethylamino)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(dimethylamino)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(dimethylamino)-3-pyridin-3-ylurea is CN(C)NC(=O)Nc1cccnc1.
What is the InChIKey of 1-(dimethylamino)-3-pyridin-3-ylurea?
The InChIKey is NLZBXGDYGPCJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12(2)11-8(13)10-7-4-3-5-9-6-7/h3-6H,1-2H3,(H2,10,11,13).
What are the key properties of 1-(dimethylamino)-3-pyridin-3-ylurea?
1-(dimethylamino)-3-pyridin-3-ylurea has a molecular weight of 180.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-pyridin-3-ylurea is sourced from PubChem (CID 123360253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).