6-imidazol-1-yl-N-(3-iodo-2-methylphenyl)pyridine-2-carboxamide

C16H13IN4O — CID 166206985

IUPAC6-imidazol-1-yl-N-(3-iodo-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1c(I)cccc1NC(=O)c1cccc(-n2ccnc2)n1
InChIInChI=1S/C16H13IN4O/c1-11-12(17)4-2-5-13(11)20-16(22)14-6-3-7-15(19-14)21-9-8-18-10-21/h2-10H,1H3,(H,20,22)
InChIKeyGNSUQLCEPRINGT-UHFFFAOYSA-N
MW404.21 g/mol
LogP3.43
Rot. Bonds3

About 6-imidazol-1-yl-N-(3-iodo-2-methylphenyl)pyridine-2-carboxamide

6-imidazol-1-yl-N-(3-iodo-2-methylphenyl)pyridine-2-carboxamide (PubChem CID 166206985) has the molecular formula C16H13IN4O and a molecular weight of 404.21 g/mol. Its IUPAC name is 6-imidazol-1-yl-N-(3-iodo-2-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-imidazol-1-yl-N-(3-iodo-2-methylphenyl)pyridine-2-carboxamide
PubChem CID166206985
Molecular FormulaC16H13IN4O
Molecular Weight404.21 g/mol
Exact Mass404.01
IUPAC Name6-imidazol-1-yl-N-(3-iodo-2-methylphenyl)pyridine-2-carboxamide
SMILESCc1c(I)cccc1NC(=O)c1cccc(-n2ccnc2)n1
InChIInChI=1S/C16H13IN4O/c1-11-12(17)4-2-5-13(11)20-16(22)14-6-3-7-15(19-14)21-9-8-18-10-21/h2-10H,1H3,(H,20,22)
InChIKeyGNSUQLCEPRINGT-UHFFFAOYSA-N
XLogP3.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.21
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-imidazol-1-yl-N-(2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 166481480
6-imidazol-1-yl-N-phenylpyridine-2-carboxamide
CID 97260029
6-imidazol-1-yl-N-pyridin-3-ylpyridine-2-carboxamide
CID 166481334
N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586966
N-(3,4-difluorophenyl)-6-imidazol-1-ylpyridine-2-carboxamide
CID 166481211
6-imidazol-1-yl-N-[3-methyl-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 166208133
N-(3-acetamido-2-methylphenyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 37064847
N-[6-[acetyl(ethyl)amino]-3-pyridinyl]-6-imidazol-1-ylpyridine-2-carboxamide
CID 170418675
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-6-imidazol-1-ylpyridine-2-carboxamide
CID 75401232
6-imidazol-1-yl-N-thiophen-2-ylsulfonylpyridine-2-carboxamide
CID 75524742
N-(4-methylphenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586962
6-imidazol-1-yl-N-(3-methoxycyclopentyl)pyridine-2-carboxamide
CID 166481672

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-N-(3-iodo-2-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-imidazol-1-yl-N-(3-iodo-2-methylphenyl)pyridine-2-carboxamide (CID 166206985) is 6-imidazol-1-yl-N-(3-iodo-2-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-imidazol-1-yl-N-(3-iodo-2-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-imidazol-1-yl-N-(3-iodo-2-methylphenyl)pyridine-2-carboxamide is Cc1c(I)cccc1NC(=O)c1cccc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-N-(3-iodo-2-methylphenyl)pyridine-2-carboxamide?
The InChIKey is GNSUQLCEPRINGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN4O/c1-11-12(17)4-2-5-13(11)20-16(22)14-6-3-7-15(19-14)21-9-8-18-10-21/h2-10H,1H3,(H,20,22).
What are the key properties of 6-imidazol-1-yl-N-(3-iodo-2-methylphenyl)pyridine-2-carboxamide?
6-imidazol-1-yl-N-(3-iodo-2-methylphenyl)pyridine-2-carboxamide has a molecular weight of 404.21 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-N-(3-iodo-2-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 166206985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).