N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide

C11H16IN3O — CID 167310023

IUPACN-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cncc(I)c1
InChIInChI=1S/C11H16IN3O/c1-15(2)5-3-4-14-11(16)9-6-10(12)8-13-7-9/h6-8H,3-5H2,1-2H3,(H,14,16)
InChIKeyIYEZBACQIKYYIH-UHFFFAOYSA-N
MW333.17 g/mol
LogP1.37
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide

N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide (PubChem CID 167310023) has the molecular formula C11H16IN3O and a molecular weight of 333.17 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide
PubChem CID167310023
Molecular FormulaC11H16IN3O
Molecular Weight333.17 g/mol
Exact Mass333.03
IUPAC NameN-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cncc(I)c1
InChIInChI=1S/C11H16IN3O/c1-15(2)5-3-4-14-11(16)9-6-10(12)8-13-7-9/h6-8H,3-5H2,1-2H3,(H,14,16)
InChIKeyIYEZBACQIKYYIH-UHFFFAOYSA-N
XLogP1.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104366
5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104300
5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
CID 109101145
3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104288
5-N-(2,6-diethylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104332
5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104343
N-[3-(dimethylamino)propyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103724
N-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109229797
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109252856
ethyl 2-[[5-[3-(dimethylamino)propylcarbamoyl]pyridine-3-carbonyl]amino]benzoate
CID 109104386

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide (CID 167310023) is N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide is CN(C)CCCNC(=O)c1cncc(I)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide?
The InChIKey is IYEZBACQIKYYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O/c1-15(2)5-3-4-14-11(16)9-6-10(12)8-13-7-9/h6-8H,3-5H2,1-2H3,(H,14,16).
What are the key properties of N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide?
N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide has a molecular weight of 333.17 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide is sourced from PubChem (CID 167310023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).