3-iodo-N-(pyridin-2-ylmethyl)propanamide

C9H11IN2O — CID 163408162

IUPAC3-iodo-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCI)NCc1ccccn1
InChIInChI=1S/C9H11IN2O/c10-5-4-9(13)12-7-8-3-1-2-6-11-8/h1-3,6H,4-5,7H2,(H,12,13)
InChIKeyPYPJTBOSQUECET-UHFFFAOYSA-N
MW290.10 g/mol
LogP1.52
Rot. Bonds4

About 3-iodo-N-(pyridin-2-ylmethyl)propanamide

3-iodo-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 163408162) has the molecular formula C9H11IN2O and a molecular weight of 290.10 g/mol. Its IUPAC name is 3-iodo-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-iodo-N-(pyridin-2-ylmethyl)propanamide
PubChem CID163408162
Molecular FormulaC9H11IN2O
Molecular Weight290.10 g/mol
Exact Mass289.99
IUPAC Name3-iodo-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCI)NCc1ccccn1
InChIInChI=1S/C9H11IN2O/c10-5-4-9(13)12-7-8-3-1-2-6-11-8/h1-3,6H,4-5,7H2,(H,12,13)
InChIKeyPYPJTBOSQUECET-UHFFFAOYSA-N
XLogP1.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 75480750
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
7-amino-N-(pyridin-2-ylmethyl)heptanamide
CID 24706457
N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide
CID 51362589
N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide
CID 4566604
3-oxo-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 102234841
2-cyano-N-(pyridin-2-ylmethyl)acetamide
CID 2799775
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 47412168
2-phenoxy-N-(pyridin-2-ylmethyl)acetamide
CID 853197

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-iodo-N-(pyridin-2-ylmethyl)propanamide (CID 163408162) is 3-iodo-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-iodo-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-iodo-N-(pyridin-2-ylmethyl)propanamide is O=C(CCI)NCc1ccccn1.
What is the InChIKey of 3-iodo-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is PYPJTBOSQUECET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O/c10-5-4-9(13)12-7-8-3-1-2-6-11-8/h1-3,6H,4-5,7H2,(H,12,13).
What are the key properties of 3-iodo-N-(pyridin-2-ylmethyl)propanamide?
3-iodo-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 290.10 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 163408162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).