N-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide

C10H8F2N4O — CID 103512452

IUPACN-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C10H8F2N4O/c1-16-5-13-4-7(16)10(17)14-6-2-3-8(11)15-9(6)12/h2-5H,1H3,(H,14,17)
InChIKeyWWLCDNUWHJSXHL-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.35
Rot. Bonds2

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

N-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide (PubChem CID 103512452) has the molecular formula C10H8F2N4O and a molecular weight of 238.20 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide
PubChem CID103512452
Molecular FormulaC10H8F2N4O
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1ccc(F)nc1F
InChIInChI=1S/C10H8F2N4O/c1-16-5-13-4-7(16)10(17)14-6-2-3-8(11)15-9(6)12/h2-5H,1H3,(H,14,17)
InChIKeyWWLCDNUWHJSXHL-UHFFFAOYSA-N
XLogP1.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.35
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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Related Compounds

N-(6-fluoro-2-pyridinyl)-3-methylimidazole-4-carboxamide
CID 103512446
N-(4-bromo-2-methylphenyl)-3-methylimidazole-4-carboxamide
CID 110863038
4,5-difluoro-2-[(3-methylimidazole-4-carbonyl)amino]benzoic acid
CID 103510522
(E)-3-[3-fluoro-4-[(3-methylimidazole-4-carbonyl)amino]phenyl]prop-2-enoic acid
CID 103512016
N-(5-fluoro-2-sulfamoylphenyl)-3-methylimidazole-4-carboxamide
CID 103511933
N-(3,5-dichloro-2-hydroxyphenyl)-3-methylimidazole-4-carboxamide
CID 107675810
3-methyl-N-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]imidazole-4-carboxamide
CID 171679215
N-[2-cyano-4-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide
CID 103510962
N-(2-bromo-4-sulfamoylphenyl)-3-methylimidazole-4-carboxamide
CID 103511171
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylimidazole-4-carboxamide
CID 110861901
N-(2,6-dichlorophenyl)-3-methylimidazole-4-carboxamide
CID 110864315
3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]imidazole-4-carboxamide
CID 103510743

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide (CID 103512452) is N-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)Nc1ccc(F)nc1F.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide?
The InChIKey is WWLCDNUWHJSXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O/c1-16-5-13-4-7(16)10(17)14-6-2-3-8(11)15-9(6)12/h2-5H,1H3,(H,14,17).
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide?
N-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide has a molecular weight of 238.20 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 103512452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).