N-(4-iodo-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide

C20H14IN5O — CID 70953926

IUPACN-(4-iodo-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(I)c(-c2ccccn2)c1)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C20H14IN5O/c21-17-7-6-15(12-16(17)18-4-1-2-9-22-18)25-20(27)14-5-8-19(23-13-14)26-11-3-10-24-26/h1-13H,(H,25,27)
InChIKeyDTLQWKHTIXKWJB-UHFFFAOYSA-N
MW467.27 g/mol
LogP4.19
Rot. Bonds4

About N-(4-iodo-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide

N-(4-iodo-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide (PubChem CID 70953926) has the molecular formula C20H14IN5O and a molecular weight of 467.27 g/mol. Its IUPAC name is N-(4-iodo-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-iodo-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
PubChem CID70953926
Molecular FormulaC20H14IN5O
Molecular Weight467.27 g/mol
Exact Mass467.02
IUPAC NameN-(4-iodo-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(I)c(-c2ccccn2)c1)c1ccc(-n2cccn2)nc1
InChIInChI=1S/C20H14IN5O/c21-17-7-6-15(12-16(17)18-4-1-2-9-22-18)25-20(27)14-5-8-19(23-13-14)26-11-3-10-24-26/h1-13H,(H,25,27)
InChIKeyDTLQWKHTIXKWJB-UHFFFAOYSA-N
XLogP4.19
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.27
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-iodo-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide (CID 70953926) is N-(4-iodo-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-iodo-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-iodo-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide is O=C(Nc1ccc(I)c(-c2ccccn2)c1)c1ccc(-n2cccn2)nc1.
What is the InChIKey of N-(4-iodo-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide?
The InChIKey is DTLQWKHTIXKWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14IN5O/c21-17-7-6-15(12-16(17)18-4-1-2-9-22-18)25-20(27)14-5-8-19(23-13-14)26-11-3-10-24-26/h1-13H,(H,25,27).
What are the key properties of N-(4-iodo-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide?
N-(4-iodo-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide has a molecular weight of 467.27 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 70953926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).