N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide

C20H16IN3O2 — CID 108925872

IUPACN-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1CNC(=O)c1ccccc1I)c1cccnc1
InChIInChI=1S/C20H16IN3O2/c21-17-9-3-2-8-16(17)20(26)23-13-14-6-1-4-10-18(14)24-19(25)15-7-5-11-22-12-15/h1-12H,13H2,(H,23,26)(H,24,25)
InChIKeyCZDCKBBZOVPCBK-UHFFFAOYSA-N
MW457.27 g/mol
LogP3.87
Rot. Bonds5

About N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide

N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108925872) has the molecular formula C20H16IN3O2 and a molecular weight of 457.27 g/mol. Its IUPAC name is N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108925872
Molecular FormulaC20H16IN3O2
Molecular Weight457.27 g/mol
Exact Mass457.03
IUPAC NameN-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1CNC(=O)c1ccccc1I)c1cccnc1
InChIInChI=1S/C20H16IN3O2/c21-17-9-3-2-8-16(17)20(26)23-13-14-6-1-4-10-18(14)24-19(25)15-7-5-11-22-12-15/h1-12H,13H2,(H,23,26)(H,24,25)
InChIKeyCZDCKBBZOVPCBK-UHFFFAOYSA-N
XLogP3.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.27
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051
N-[[2-[(3,4,5-trihydroxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925899
N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926065
N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926036
N-[[2-[(2,2-diphenylacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925855
N-[[2-[[2-(2-fluorophenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926099
N-[[2-[(3,4-dimethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925835
N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926070
N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926106
N-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926017

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide (CID 108925872) is N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1CNC(=O)c1ccccc1I)c1cccnc1.
What is the InChIKey of N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is CZDCKBBZOVPCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16IN3O2/c21-17-9-3-2-8-16(17)20(26)23-13-14-6-1-4-10-18(14)24-19(25)15-7-5-11-22-12-15/h1-12H,13H2,(H,23,26)(H,24,25).
What are the key properties of N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide?
N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 457.27 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2-iodobenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).