N-(6-fluoro-2-pyridinyl)-3-methylimidazole-4-carboxamide

C10H9FN4O — CID 103512446

IUPACN-(6-fluoro-2-pyridinyl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cccc(F)n1
InChIInChI=1S/C10H9FN4O/c1-15-6-12-5-7(15)10(16)14-9-4-2-3-8(11)13-9/h2-6H,1H3,(H,13,14,16)
InChIKeyGFWFBNVHRKEDGQ-UHFFFAOYSA-N
MW220.21 g/mol
LogP1.21
Rot. Bonds2

About N-(6-fluoro-2-pyridinyl)-3-methylimidazole-4-carboxamide

N-(6-fluoro-2-pyridinyl)-3-methylimidazole-4-carboxamide (PubChem CID 103512446) has the molecular formula C10H9FN4O and a molecular weight of 220.21 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-3-methylimidazole-4-carboxamide
PubChem CID103512446
Molecular FormulaC10H9FN4O
Molecular Weight220.21 g/mol
Exact Mass220.08
IUPAC NameN-(6-fluoro-2-pyridinyl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cccc(F)n1
InChIInChI=1S/C10H9FN4O/c1-15-6-12-5-7(15)10(16)14-9-4-2-3-8(11)13-9/h2-6H,1H3,(H,13,14,16)
InChIKeyGFWFBNVHRKEDGQ-UHFFFAOYSA-N
XLogP1.21
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-3-methylimidazole-4-carboxamide (CID 103512446) is N-(6-fluoro-2-pyridinyl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)Nc1cccc(F)n1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-3-methylimidazole-4-carboxamide?
The InChIKey is GFWFBNVHRKEDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O/c1-15-6-12-5-7(15)10(16)14-9-4-2-3-8(11)13-9/h2-6H,1H3,(H,13,14,16).
What are the key properties of N-(6-fluoro-2-pyridinyl)-3-methylimidazole-4-carboxamide?
N-(6-fluoro-2-pyridinyl)-3-methylimidazole-4-carboxamide has a molecular weight of 220.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 103512446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).