2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide

C16H16IN3O — CID 60788894

IUPAC2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1cccnc1N1CCCC1)c1ccccc1I
InChIInChI=1S/C16H16IN3O/c17-13-7-2-1-6-12(13)16(21)19-14-8-5-9-18-15(14)20-10-3-4-11-20/h1-2,5-9H,3-4,10-11H2,(H,19,21)
InChIKeyLJPMLMYETOKJEG-UHFFFAOYSA-N
MW393.23 g/mol
LogP3.54
Rot. Bonds3

About 2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide

2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide (PubChem CID 60788894) has the molecular formula C16H16IN3O and a molecular weight of 393.23 g/mol. Its IUPAC name is 2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide
PubChem CID60788894
Molecular FormulaC16H16IN3O
Molecular Weight393.23 g/mol
Exact Mass393.03
IUPAC Name2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESO=C(Nc1cccnc1N1CCCC1)c1ccccc1I
InChIInChI=1S/C16H16IN3O/c17-13-7-2-1-6-12(13)16(21)19-14-8-5-9-18-15(14)20-10-3-4-11-20/h1-2,5-9H,3-4,10-11H2,(H,19,21)
InChIKeyLJPMLMYETOKJEG-UHFFFAOYSA-N
XLogP3.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 84576263
2-iodo-N-(2-piperidin-1-ylphenyl)benzamide
CID 1308785
5-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 63998437
N-(2-benzylphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 4792834
4-amino-2-methyl-N-(2-piperidin-1-yl-3-pyridinyl)pyrimidine-5-carboxamide
CID 167907212
2-fluoro-N-(2-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 107358573
1-(2-methylpropyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)indole-3-carboxamide
CID 55961998
5-bromo-N-(2-pyrrolidin-1-yl-3-pyridinyl)thiophene-3-carboxamide
CID 47243449
2-[(2-iodobenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 30335086
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-iodo-N-(5-piperidin-1-ylisoquinolin-8-yl)benzamide
CID 25413509
2-(azepan-1-yl)-N-(2,5-difluorophenyl)pyridine-3-carboxamide
CID 84576375

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide (CID 60788894) is 2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide is O=C(Nc1cccnc1N1CCCC1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The InChIKey is LJPMLMYETOKJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16IN3O/c17-13-7-2-1-6-12(13)16(21)19-14-8-5-9-18-15(14)20-10-3-4-11-20/h1-2,5-9H,3-4,10-11H2,(H,19,21).
What are the key properties of 2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide?
2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide has a molecular weight of 393.23 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-(2-pyrrolidin-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 60788894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).