2-imidazol-1-ylpyridine-4-carboximidamide

C9H9N5 — CID 24703180

IUPAC2-imidazol-1-ylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C9H9N5/c10-9(11)7-1-2-13-8(5-7)14-4-3-12-6-14/h1-6H,(H3,10,11)
InChIKeyRMTCYIDOIANCDI-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.55
Rot. Bonds2

About 2-imidazol-1-ylpyridine-4-carboximidamide

2-imidazol-1-ylpyridine-4-carboximidamide (PubChem CID 24703180) has the molecular formula C9H9N5 and a molecular weight of 187.21 g/mol. Its IUPAC name is 2-imidazol-1-ylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-imidazol-1-ylpyridine-4-carboximidamide
PubChem CID24703180
Molecular FormulaC9H9N5
Molecular Weight187.21 g/mol
Exact Mass187.09
IUPAC Name2-imidazol-1-ylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C9H9N5/c10-9(11)7-1-2-13-8(5-7)14-4-3-12-6-14/h1-6H,(H3,10,11)
InChIKeyRMTCYIDOIANCDI-UHFFFAOYSA-N
XLogP0.55
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-imidazol-1-ylpyridine-2-carboximidamide
CID 64595368
2-(4,5-dimethylimidazol-1-yl)pyridine-4-carboximidamide
CID 62352348
2-(3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide
CID 24691587
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide
CID 61236499
2-bromoprop-2-enyl 2-imidazol-1-ylpyridine-4-carboxylate
CID 99824160
2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide
CID 43585311
2-chloro-6-imidazol-1-ylbenzenecarboximidamide
CID 62495659
2-(4-methyl-1,4-diazepan-1-yl)pyridine-4-carboximidamide
CID 28745079
2-(1,4-oxazepan-4-yl)pyridine-4-carboximidamide
CID 62973407
3-imidazol-1-ylpyridazine-4-carboximidamide
CID 80513473
N-cyclobutyl-N-(cyclopropylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 166222406
2-(hydroxymethyl)pyridine-4-carboximidamide
CID 157277304

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-ylpyridine-4-carboximidamide?
The IUPAC name of 2-imidazol-1-ylpyridine-4-carboximidamide (CID 24703180) is 2-imidazol-1-ylpyridine-4-carboximidamide.
What is the SMILES notation for 2-imidazol-1-ylpyridine-4-carboximidamide?
The canonical SMILES for 2-imidazol-1-ylpyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(-n2ccnc2)c1.
What is the InChIKey of 2-imidazol-1-ylpyridine-4-carboximidamide?
The InChIKey is RMTCYIDOIANCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5/c10-9(11)7-1-2-13-8(5-7)14-4-3-12-6-14/h1-6H,(H3,10,11).
What are the key properties of 2-imidazol-1-ylpyridine-4-carboximidamide?
2-imidazol-1-ylpyridine-4-carboximidamide has a molecular weight of 187.21 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-ylpyridine-4-carboximidamide is sourced from PubChem (CID 24703180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).