N-(5-iodo-3-methyl-2-pyridinyl)-2-(1-methylindol-3-yl)propanamide

C18H18IN3O — CID 166223965

IUPACN-(5-iodo-3-methyl-2-pyridinyl)-2-(1-methylindol-3-yl)propanamide
SMILESCc1cc(I)cnc1NC(=O)C(C)c1cn(C)c2ccccc12
InChIInChI=1S/C18H18IN3O/c1-11-8-13(19)9-20-17(11)21-18(23)12(2)15-10-22(3)16-7-5-4-6-14(15)16/h4-10,12H,1-3H3,(H,20,21,23)
InChIKeyQXZJCNZHFCLALK-UHFFFAOYSA-N
MW419.27 g/mol
LogP4.23
Rot. Bonds3

About N-(5-iodo-3-methyl-2-pyridinyl)-2-(1-methylindol-3-yl)propanamide

N-(5-iodo-3-methyl-2-pyridinyl)-2-(1-methylindol-3-yl)propanamide (PubChem CID 166223965) has the molecular formula C18H18IN3O and a molecular weight of 419.27 g/mol. Its IUPAC name is N-(5-iodo-3-methyl-2-pyridinyl)-2-(1-methylindol-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-iodo-3-methyl-2-pyridinyl)-2-(1-methylindol-3-yl)propanamide
PubChem CID166223965
Molecular FormulaC18H18IN3O
Molecular Weight419.27 g/mol
Exact Mass419.05
IUPAC NameN-(5-iodo-3-methyl-2-pyridinyl)-2-(1-methylindol-3-yl)propanamide
SMILESCc1cc(I)cnc1NC(=O)C(C)c1cn(C)c2ccccc12
InChIInChI=1S/C18H18IN3O/c1-11-8-13(19)9-20-17(11)21-18(23)12(2)15-10-22(3)16-7-5-4-6-14(15)16/h4-10,12H,1-3H3,(H,20,21,23)
InChIKeyQXZJCNZHFCLALK-UHFFFAOYSA-N
XLogP4.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.27
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-3-methyl-2-pyridinyl)-2-(1-methylindol-3-yl)propanamide?
The IUPAC name of N-(5-iodo-3-methyl-2-pyridinyl)-2-(1-methylindol-3-yl)propanamide (CID 166223965) is N-(5-iodo-3-methyl-2-pyridinyl)-2-(1-methylindol-3-yl)propanamide.
What is the SMILES notation for N-(5-iodo-3-methyl-2-pyridinyl)-2-(1-methylindol-3-yl)propanamide?
The canonical SMILES for N-(5-iodo-3-methyl-2-pyridinyl)-2-(1-methylindol-3-yl)propanamide is Cc1cc(I)cnc1NC(=O)C(C)c1cn(C)c2ccccc12.
What is the InChIKey of N-(5-iodo-3-methyl-2-pyridinyl)-2-(1-methylindol-3-yl)propanamide?
The InChIKey is QXZJCNZHFCLALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18IN3O/c1-11-8-13(19)9-20-17(11)21-18(23)12(2)15-10-22(3)16-7-5-4-6-14(15)16/h4-10,12H,1-3H3,(H,20,21,23).
What are the key properties of N-(5-iodo-3-methyl-2-pyridinyl)-2-(1-methylindol-3-yl)propanamide?
N-(5-iodo-3-methyl-2-pyridinyl)-2-(1-methylindol-3-yl)propanamide has a molecular weight of 419.27 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-3-methyl-2-pyridinyl)-2-(1-methylindol-3-yl)propanamide is sourced from PubChem (CID 166223965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).