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

C15H12IN5O — CID 6497099

IUPACN-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
SMILESCc1cc(I)ccc1NC(=O)c1ccnc(-n2cnnc2)c1
InChIInChI=1S/C15H12IN5O/c1-10-6-12(16)2-3-13(10)20-15(22)11-4-5-17-14(7-11)21-8-18-19-9-21/h2-9H,1H3,(H,20,22)
InChIKeyPUOJZDWBIRSIEX-UHFFFAOYSA-N
MW405.20 g/mol
LogP2.83
Rot. Bonds3

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

N-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide (PubChem CID 6497099) has the molecular formula C15H12IN5O and a molecular weight of 405.20 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
PubChem CID6497099
Molecular FormulaC15H12IN5O
Molecular Weight405.20 g/mol
Exact Mass405.01
IUPAC NameN-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
SMILESCc1cc(I)ccc1NC(=O)c1ccnc(-n2cnnc2)c1
InChIInChI=1S/C15H12IN5O/c1-10-6-12(16)2-3-13(10)20-15(22)11-4-5-17-14(7-11)21-8-18-19-9-21/h2-9H,1H3,(H,20,22)
InChIKeyPUOJZDWBIRSIEX-UHFFFAOYSA-N
XLogP2.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.20
LogP ≤ 52.83
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-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 6497093
N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 39890492
2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide
CID 114325820
ethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen
CID 166481214
N-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 39890507
4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
CID 63213134
4-chloro-N-(4-iodo-2-methylphenyl)pyridine-2-carboxamide
CID 60656369
N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 84573364
N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 46993374
N-(4,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 156586925
4-bromo-N-(4-iodo-2-methylphenyl)benzamide
CID 1379401
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 134699156

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide (CID 6497099) is N-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide is Cc1cc(I)ccc1NC(=O)c1ccnc(-n2cnnc2)c1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The InChIKey is PUOJZDWBIRSIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN5O/c1-10-6-12(16)2-3-13(10)20-15(22)11-4-5-17-14(7-11)21-8-18-19-9-21/h2-9H,1H3,(H,20,22).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
N-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide has a molecular weight of 405.20 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 6497099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).