5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide

C10H10IN3O — CID 114504454

IUPAC5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCCCI)nc1
InChIInChI=1S/C10H10IN3O/c11-4-1-5-13-10(15)9-3-2-8(6-12)7-14-9/h2-3,7H,1,4-5H2,(H,13,15)
InChIKeyBICVRWFXQCFZQK-UHFFFAOYSA-N
MW315.11 g/mol
LogP1.51
Rot. Bonds4

About 5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide

5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide (PubChem CID 114504454) has the molecular formula C10H10IN3O and a molecular weight of 315.11 g/mol. Its IUPAC name is 5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide
PubChem CID114504454
Molecular FormulaC10H10IN3O
Molecular Weight315.11 g/mol
Exact Mass314.99
IUPAC Name5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)NCCCI)nc1
InChIInChI=1S/C10H10IN3O/c11-4-1-5-13-10(15)9-3-2-8(6-12)7-14-9/h2-3,7H,1,4-5H2,(H,13,15)
InChIKeyBICVRWFXQCFZQK-UHFFFAOYSA-N
XLogP1.51
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 51.51
H-Bond Donors ≤ 51
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

N-(5-amino-5-oxopentyl)-5-cyanopyridine-2-carboxamide
CID 103896383
5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63722909
5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
CID 63716783
5-cyano-N-(4-hydroxypentyl)pyridine-2-carboxamide
CID 107300157
5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide
CID 82942469
5-cyano-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-2-carboxamide
CID 64546656
5-cyano-N-(2-sulfamoylethyl)pyridine-2-carboxamide
CID 63719383
(2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834949
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
5-cyano-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 63717300
N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide (CID 114504454) is 5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide is N#Cc1ccc(C(=O)NCCCI)nc1.
What is the InChIKey of 5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide?
The InChIKey is BICVRWFXQCFZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3O/c11-4-1-5-13-10(15)9-3-2-8(6-12)7-14-9/h2-3,7H,1,4-5H2,(H,13,15).
What are the key properties of 5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide?
5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide has a molecular weight of 315.11 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide is sourced from PubChem (CID 114504454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).