2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide

C18H19IN4O2 — CID 30267909

IUPAC2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1I)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C18H19IN4O2/c19-15-6-2-1-5-14(15)18(25)21-12-17(24)22-13-7-8-16(20-11-13)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10,12H2,(H,21,25)(H,22,24)
InChIKeyGADVSQINEOBHRE-UHFFFAOYSA-N
MW450.28 g/mol
LogP2.65
Rot. Bonds5

About 2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide

2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide (PubChem CID 30267909) has the molecular formula C18H19IN4O2 and a molecular weight of 450.28 g/mol. Its IUPAC name is 2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide
PubChem CID30267909
Molecular FormulaC18H19IN4O2
Molecular Weight450.28 g/mol
Exact Mass450.06
IUPAC Name2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1I)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C18H19IN4O2/c19-15-6-2-1-5-14(15)18(25)21-12-17(24)22-13-7-8-16(20-11-13)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10,12H2,(H,21,25)(H,22,24)
InChIKeyGADVSQINEOBHRE-UHFFFAOYSA-N
XLogP2.65
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.28
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]furan-2-carboxamide
CID 18144018
2-iodo-N-[2-oxo-2-(2-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 30495619
3-chloro-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 46426974
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
CID 155391842
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
CID 155391840
2-iodo-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 35014699
N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide
CID 29265811
N-[2-oxo-2-[(6-piperidin-1-yl-3-pyridinyl)amino]ethyl]adamantane-1-carboxamide
CID 46519976
2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 113009839
N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide
CID 113015896
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
2-chloro-N-[(1S)-3-oxo-1-phenyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]propyl]benzamide
CID 26249276

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide?
The IUPAC name of 2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide (CID 30267909) is 2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide.
What is the SMILES notation for 2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide?
The canonical SMILES for 2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide is O=C(CNC(=O)c1ccccc1I)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide?
The InChIKey is GADVSQINEOBHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19IN4O2/c19-15-6-2-1-5-14(15)18(25)21-12-17(24)22-13-7-8-16(20-11-13)23-9-3-4-10-23/h1-2,5-8,11H,3-4,9-10,12H2,(H,21,25)(H,22,24).
What are the key properties of 2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide?
2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide has a molecular weight of 450.28 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]ethyl]benzamide is sourced from PubChem (CID 30267909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).