N-(4-iodophenyl)-3-pyridin-3-ylpropanamide

C14H13IN2O — CID 9206675

IUPACN-(4-iodophenyl)-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1ccc(I)cc1
InChIInChI=1S/C14H13IN2O/c15-12-4-6-13(7-5-12)17-14(18)8-3-11-2-1-9-16-10-11/h1-2,4-7,9-10H,3,8H2,(H,17,18)
InChIKeyJHBGPWADVIOXPV-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.26
Rot. Bonds4

About N-(4-iodophenyl)-3-pyridin-3-ylpropanamide

N-(4-iodophenyl)-3-pyridin-3-ylpropanamide (PubChem CID 9206675) has the molecular formula C14H13IN2O and a molecular weight of 352.18 g/mol. Its IUPAC name is N-(4-iodophenyl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-3-pyridin-3-ylpropanamide
PubChem CID9206675
Molecular FormulaC14H13IN2O
Molecular Weight352.18 g/mol
Exact Mass352.01
IUPAC NameN-(4-iodophenyl)-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)Nc1ccc(I)cc1
InChIInChI=1S/C14H13IN2O/c15-12-4-6-13(7-5-12)17-14(18)8-3-11-2-1-9-16-10-11/h1-2,4-7,9-10H,3,8H2,(H,17,18)
InChIKeyJHBGPWADVIOXPV-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-pyridin-3-ylpropanoylamino)phenyl]acetic acid
CID 43358510
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-pyridin-3-ylpropanamide
CID 37294420
N-(4-morpholin-4-ylphenyl)-3-pyridin-3-ylpropanamide
CID 35147983
1-(4-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125675
3-phenyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 36542434
N-[4-(4-cyanophenoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 48872559
N-(3-acetylphenyl)-3-pyridin-3-ylpropanamide
CID 9209643
N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
CID 32605738
3-pyridin-3-yl-N-[4-(2H-tetrazol-5-yloxy)phenyl]propanamide
CID 131892802
N-(2,3-dichlorophenyl)-3-pyridin-3-ylpropanamide
CID 112519927
N,N'-bis(4-iodophenyl)butanediamide
CID 4250378
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-pyridin-3-ylpropanamide
CID 30697500

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-3-pyridin-3-ylpropanamide?
The IUPAC name of N-(4-iodophenyl)-3-pyridin-3-ylpropanamide (CID 9206675) is N-(4-iodophenyl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-(4-iodophenyl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-(4-iodophenyl)-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)Nc1ccc(I)cc1.
What is the InChIKey of N-(4-iodophenyl)-3-pyridin-3-ylpropanamide?
The InChIKey is JHBGPWADVIOXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O/c15-12-4-6-13(7-5-12)17-14(18)8-3-11-2-1-9-16-10-11/h1-2,4-7,9-10H,3,8H2,(H,17,18).
What are the key properties of N-(4-iodophenyl)-3-pyridin-3-ylpropanamide?
N-(4-iodophenyl)-3-pyridin-3-ylpropanamide has a molecular weight of 352.18 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 9206675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).