N-(4-chloro-5-iodo-2-pyridinyl)-3-methoxypropanamide

C9H10ClIN2O2 — CID 75477052

IUPACN-(4-chloro-5-iodo-2-pyridinyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cc(Cl)c(I)cn1
InChIInChI=1S/C9H10ClIN2O2/c1-15-3-2-9(14)13-8-4-6(10)7(11)5-12-8/h4-5H,2-3H2,1H3,(H,12,13,14)
InChIKeyUAIYFABNVHHKHS-UHFFFAOYSA-N
MW340.55 g/mol
LogP2.31
Rot. Bonds4

About N-(4-chloro-5-iodo-2-pyridinyl)-3-methoxypropanamide

N-(4-chloro-5-iodo-2-pyridinyl)-3-methoxypropanamide (PubChem CID 75477052) has the molecular formula C9H10ClIN2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is N-(4-chloro-5-iodo-2-pyridinyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(4-chloro-5-iodo-2-pyridinyl)-3-methoxypropanamide
PubChem CID75477052
Molecular FormulaC9H10ClIN2O2
Molecular Weight340.55 g/mol
Exact Mass339.95
IUPAC NameN-(4-chloro-5-iodo-2-pyridinyl)-3-methoxypropanamide
SMILESCOCCC(=O)Nc1cc(Cl)c(I)cn1
InChIInChI=1S/C9H10ClIN2O2/c1-15-3-2-9(14)13-8-4-6(10)7(11)5-12-8/h4-5H,2-3H2,1H3,(H,12,13,14)
InChIKeyUAIYFABNVHHKHS-UHFFFAOYSA-N
XLogP2.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 52.31
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

3-methoxy-N-(5-methyl-2-pyridinyl)propanamide
CID 127118084
N-(4-chloro-2-iodophenyl)-3-methoxypropanamide
CID 103766747
3-methoxy-N-pyrazin-2-ylpropanamide
CID 127118096
N-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide
CID 71987137
N-(3-chloro-2-pyridinyl)-3-methoxypropanamide
CID 75448204
methyl N-(5-chloro-4-methyl-2-pyridinyl)carbamate
CID 177139769
N-(1,5-dimethylpyrazol-3-yl)-3-methoxypropanamide
CID 35761217
N-[7-chloro-6-[4-[(3S,4S)-4-hydroxy-3-methyloxolan-3-yl]piperazin-1-yl]isoquinolin-3-yl]-3-methoxypropanamide
CID 163277509
N-(5-bromo-2-chloro-4-fluorophenyl)-3-methoxypropanamide
CID 71975409
N-[6-(3-chloro-4-methoxyanilino)-3-pyridinyl]-3-phenoxypropanamide
CID 113019106
3-methoxy-N-(1,2-oxazol-4-yl)propanamide
CID 130702486
N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide
CID 115626770

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5-iodo-2-pyridinyl)-3-methoxypropanamide?
The IUPAC name of N-(4-chloro-5-iodo-2-pyridinyl)-3-methoxypropanamide (CID 75477052) is N-(4-chloro-5-iodo-2-pyridinyl)-3-methoxypropanamide.
What is the SMILES notation for N-(4-chloro-5-iodo-2-pyridinyl)-3-methoxypropanamide?
The canonical SMILES for N-(4-chloro-5-iodo-2-pyridinyl)-3-methoxypropanamide is COCCC(=O)Nc1cc(Cl)c(I)cn1.
What is the InChIKey of N-(4-chloro-5-iodo-2-pyridinyl)-3-methoxypropanamide?
The InChIKey is UAIYFABNVHHKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClIN2O2/c1-15-3-2-9(14)13-8-4-6(10)7(11)5-12-8/h4-5H,2-3H2,1H3,(H,12,13,14).
What are the key properties of N-(4-chloro-5-iodo-2-pyridinyl)-3-methoxypropanamide?
N-(4-chloro-5-iodo-2-pyridinyl)-3-methoxypropanamide has a molecular weight of 340.55 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5-iodo-2-pyridinyl)-3-methoxypropanamide is sourced from PubChem (CID 75477052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).