[(2-methyl-4-pyridin-3-ylimidazol-1-yl)amino]carbamic acid

C10H11N5O2 — CID 174738677

IUPAC[(2-methyl-4-pyridin-3-ylimidazol-1-yl)amino]carbamic acid
SMILESCc1nc(-c2cccnc2)cn1NNC(=O)O
InChIInChI=1S/C10H11N5O2/c1-7-12-9(8-3-2-4-11-5-8)6-15(7)14-13-10(16)17/h2-6,13-14H,1H3,(H,16,17)
InChIKeyLUEPIRDVLGKSNF-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.98
Rot. Bonds3

About [(2-methyl-4-pyridin-3-ylimidazol-1-yl)amino]carbamic acid

[(2-methyl-4-pyridin-3-ylimidazol-1-yl)amino]carbamic acid (PubChem CID 174738677) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is [(2-methyl-4-pyridin-3-ylimidazol-1-yl)amino]carbamic acid.

Molecular Properties

Compound Name[(2-methyl-4-pyridin-3-ylimidazol-1-yl)amino]carbamic acid
PubChem CID174738677
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name[(2-methyl-4-pyridin-3-ylimidazol-1-yl)amino]carbamic acid
SMILESCc1nc(-c2cccnc2)cn1NNC(=O)O
InChIInChI=1S/C10H11N5O2/c1-7-12-9(8-3-2-4-11-5-8)6-15(7)14-13-10(16)17/h2-6,13-14H,1H3,(H,16,17)
InChIKeyLUEPIRDVLGKSNF-UHFFFAOYSA-N
XLogP0.98
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methyl-4-pyridin-3-ylimidazol-1-yl)-3-methylsulfanylbutanamide
CID 67502922
5-methyl-2-pyridin-3-ylpyridine-4-carbonyl chloride
CID 163503116
(2-chloro-4-pyridin-3-ylimidazol-1-yl)-ethylcarbamic acid
CID 67499797
(pyridin-3-ylmethylamino)carbamic acid
CID 154450692
1-(4-methyl-6-pyridin-3-ylpyrimidin-2-yl)ethanone
CID 116895387
2,6-dipyridin-3-ylpyridine
CID 13349632
4-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767917
2-(6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-2-yl)acetic acid
CID 3290134
ethane;2-methyl-6-pyridin-3-ylpyridine
CID 144687863
5-methyl-6-pyridin-3-ylpyridine-2-carboxylic acid
CID 140658207
(2-pyridin-3-ylphenyl)carbamic acid
CID 174385651
3-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]benzoic acid
CID 56767987

Frequently Asked Questions

What is the IUPAC name of [(2-methyl-4-pyridin-3-ylimidazol-1-yl)amino]carbamic acid?
The IUPAC name of [(2-methyl-4-pyridin-3-ylimidazol-1-yl)amino]carbamic acid (CID 174738677) is [(2-methyl-4-pyridin-3-ylimidazol-1-yl)amino]carbamic acid.
What is the SMILES notation for [(2-methyl-4-pyridin-3-ylimidazol-1-yl)amino]carbamic acid?
The canonical SMILES for [(2-methyl-4-pyridin-3-ylimidazol-1-yl)amino]carbamic acid is Cc1nc(-c2cccnc2)cn1NNC(=O)O.
What is the InChIKey of [(2-methyl-4-pyridin-3-ylimidazol-1-yl)amino]carbamic acid?
The InChIKey is LUEPIRDVLGKSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-7-12-9(8-3-2-4-11-5-8)6-15(7)14-13-10(16)17/h2-6,13-14H,1H3,(H,16,17).
What are the key properties of [(2-methyl-4-pyridin-3-ylimidazol-1-yl)amino]carbamic acid?
[(2-methyl-4-pyridin-3-ylimidazol-1-yl)amino]carbamic acid has a molecular weight of 233.23 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methyl-4-pyridin-3-ylimidazol-1-yl)amino]carbamic acid is sourced from PubChem (CID 174738677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).