N-[2-[(5-iodo-2-pyridinyl)amino]-2-oxoethyl]benzamide

C14H12IN3O2 — CID 65098946

IUPACN-[2-[(5-iodo-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1ccc(I)cn1
InChIInChI=1S/C14H12IN3O2/c15-11-6-7-12(16-8-11)18-13(19)9-17-14(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,20)(H,16,18,19)
InChIKeyVGCZZDIFIVBXSE-UHFFFAOYSA-N
MW381.17 g/mol
LogP2.05
Rot. Bonds4

About N-[2-[(5-iodo-2-pyridinyl)amino]-2-oxoethyl]benzamide

N-[2-[(5-iodo-2-pyridinyl)amino]-2-oxoethyl]benzamide (PubChem CID 65098946) has the molecular formula C14H12IN3O2 and a molecular weight of 381.17 g/mol. Its IUPAC name is N-[2-[(5-iodo-2-pyridinyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(5-iodo-2-pyridinyl)amino]-2-oxoethyl]benzamide
PubChem CID65098946
Molecular FormulaC14H12IN3O2
Molecular Weight381.17 g/mol
Exact Mass381.00
IUPAC NameN-[2-[(5-iodo-2-pyridinyl)amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1ccc(I)cn1
InChIInChI=1S/C14H12IN3O2/c15-11-6-7-12(16-8-11)18-13(19)9-17-14(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,20)(H,16,18,19)
InChIKeyVGCZZDIFIVBXSE-UHFFFAOYSA-N
XLogP2.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.17
LogP ≤ 52.05
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-[(5-morpholin-4-yl-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 38141318
N-[3-[(5-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 35022049
N-(5-iodo-2-pyridinyl)-3-phenoxypropanamide
CID 65098781
N-[2-[(6-bromo-2-pyridinyl)amino]-2-oxoethyl]benzamide
CID 43520523
N-[2-[(2-benzamidoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108925269
N-(5-iodo-2-pyridinyl)naphthalene-2-carboxamide
CID 60674580
N-[2-[(6-chloro-5-methyl-3-pyridinyl)amino]-2-oxoethyl]benzamide
CID 103745282
N-[2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 110671903
N-(5-iodo-2-pyridinyl)-2-methylsulfonylacetamide
CID 65098654
N-(5-formyl-2-pyridinyl)benzamide
CID 159048742
3,5-dichloro-N-(5-iodo-2-pyridinyl)benzamide
CID 65098988
2,6-dichloro-N-(5-iodo-2-pyridinyl)benzamide
CID 23440185

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-iodo-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[(5-iodo-2-pyridinyl)amino]-2-oxoethyl]benzamide (CID 65098946) is N-[2-[(5-iodo-2-pyridinyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[(5-iodo-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[(5-iodo-2-pyridinyl)amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)Nc1ccc(I)cn1.
What is the InChIKey of N-[2-[(5-iodo-2-pyridinyl)amino]-2-oxoethyl]benzamide?
The InChIKey is VGCZZDIFIVBXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12IN3O2/c15-11-6-7-12(16-8-11)18-13(19)9-17-14(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,20)(H,16,18,19).
What are the key properties of N-[2-[(5-iodo-2-pyridinyl)amino]-2-oxoethyl]benzamide?
N-[2-[(5-iodo-2-pyridinyl)amino]-2-oxoethyl]benzamide has a molecular weight of 381.17 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-iodo-2-pyridinyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 65098946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).