3-N-(3-iodopropyl)pyridine-3,4-dicarboxamide

C10H12IN3O2 — CID 174671869

IUPAC3-N-(3-iodopropyl)pyridine-3,4-dicarboxamide
SMILESNC(=O)c1ccncc1C(=O)NCCCI
InChIInChI=1S/C10H12IN3O2/c11-3-1-4-14-10(16)8-6-13-5-2-7(8)9(12)15/h2,5-6H,1,3-4H2,(H2,12,15)(H,14,16)
InChIKeyCDMKTVYCQFLYCI-UHFFFAOYSA-N
MW333.13 g/mol
LogP0.74
Rot. Bonds5

About 3-N-(3-iodopropyl)pyridine-3,4-dicarboxamide

3-N-(3-iodopropyl)pyridine-3,4-dicarboxamide (PubChem CID 174671869) has the molecular formula C10H12IN3O2 and a molecular weight of 333.13 g/mol. Its IUPAC name is 3-N-(3-iodopropyl)pyridine-3,4-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-iodopropyl)pyridine-3,4-dicarboxamide
PubChem CID174671869
Molecular FormulaC10H12IN3O2
Molecular Weight333.13 g/mol
Exact Mass333.00
IUPAC Name3-N-(3-iodopropyl)pyridine-3,4-dicarboxamide
SMILESNC(=O)c1ccncc1C(=O)NCCCI
InChIInChI=1S/C10H12IN3O2/c11-3-1-4-14-10(16)8-6-13-5-2-7(8)9(12)15/h2,5-6H,1,3-4H2,(H2,12,15)(H,14,16)
InChIKeyCDMKTVYCQFLYCI-UHFFFAOYSA-N
XLogP0.74
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide
CID 106846051
N-(4-amino-4-oxobutyl)-4-hydrazinylpyridine-3-carboxamide
CID 81256347
N-(4-aminobutyl)-4-chloropyridine-3-carboxamide
CID 81227353
N-(3-amino-3-sulfanylidenepropyl)-3-chloropyridine-4-carboxamide
CID 66462619
3-amino-N-pentylpyridine-4-carboxamide
CID 105067833
4-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 115522203
3-N,4-N-diethylpyridine-3,4-dicarboxamide
CID 14527703
3-chloro-N-(3-chloropropyl)pyridine-4-carboxamide
CID 66482803
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
CID 114293613
3-hydrazinyl-N-(4,4,4-trifluorobutyl)pyridine-4-carboxamide
CID 105072384
N-[(4E)-4-amino-4-hydroxyiminobutyl]-3-hydroxypyridine-4-carboxamide
CID 81443542

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-iodopropyl)pyridine-3,4-dicarboxamide?
The IUPAC name of 3-N-(3-iodopropyl)pyridine-3,4-dicarboxamide (CID 174671869) is 3-N-(3-iodopropyl)pyridine-3,4-dicarboxamide.
What is the SMILES notation for 3-N-(3-iodopropyl)pyridine-3,4-dicarboxamide?
The canonical SMILES for 3-N-(3-iodopropyl)pyridine-3,4-dicarboxamide is NC(=O)c1ccncc1C(=O)NCCCI.
What is the InChIKey of 3-N-(3-iodopropyl)pyridine-3,4-dicarboxamide?
The InChIKey is CDMKTVYCQFLYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O2/c11-3-1-4-14-10(16)8-6-13-5-2-7(8)9(12)15/h2,5-6H,1,3-4H2,(H2,12,15)(H,14,16).
What are the key properties of 3-N-(3-iodopropyl)pyridine-3,4-dicarboxamide?
3-N-(3-iodopropyl)pyridine-3,4-dicarboxamide has a molecular weight of 333.13 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-iodopropyl)pyridine-3,4-dicarboxamide is sourced from PubChem (CID 174671869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).