N-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide

C14H10IN5O — CID 6497093

IUPACN-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1I)c1ccnc(-n2cnnc2)c1
InChIInChI=1S/C14H10IN5O/c15-11-3-1-2-4-12(11)19-14(21)10-5-6-16-13(7-10)20-8-17-18-9-20/h1-9H,(H,19,21)
InChIKeyVGKVLEIVKQNCHK-UHFFFAOYSA-N
MW391.17 g/mol
LogP2.52
Rot. Bonds3

About N-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide

N-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide (PubChem CID 6497093) has the molecular formula C14H10IN5O and a molecular weight of 391.17 g/mol. Its IUPAC name is N-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
PubChem CID6497093
Molecular FormulaC14H10IN5O
Molecular Weight391.17 g/mol
Exact Mass390.99
IUPAC NameN-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccccc1I)c1ccnc(-n2cnnc2)c1
InChIInChI=1S/C14H10IN5O/c15-11-3-1-2-4-12(11)19-14(21)10-5-6-16-13(7-10)20-8-17-18-9-20/h1-9H,(H,19,21)
InChIKeyVGKVLEIVKQNCHK-UHFFFAOYSA-N
XLogP2.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.17
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 6497099
N-(2-iodophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22586966
N-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 39890507
N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 39890492
3-[[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]amino]benzoic acid
CID 5306824
ethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen
CID 166481214
3-hydroxy-N-(2-iodophenyl)benzamide
CID 28826262
3,4-dihydroxy-N-(2-iodophenyl)benzamide
CID 103956209
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 134699156
N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 156586925
N-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109166535
N-(2-iodophenyl)-3,5-dimethylbenzamide
CID 2118558

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide (CID 6497093) is N-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide is O=C(Nc1ccccc1I)c1ccnc(-n2cnnc2)c1.
What is the InChIKey of N-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The InChIKey is VGKVLEIVKQNCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN5O/c15-11-3-1-2-4-12(11)19-14(21)10-5-6-16-13(7-10)20-8-17-18-9-20/h1-9H,(H,19,21).
What are the key properties of N-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
N-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide has a molecular weight of 391.17 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 6497093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).