N-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide

C15H16IN3O — CID 62166866

IUPACN-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ccccc2I)cn1
InChIInChI=1S/C15H16IN3O/c1-2-9-17-14-8-7-11(10-18-14)15(20)19-13-6-4-3-5-12(13)16/h3-8,10H,2,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyZXAQIGYTWGIAPC-UHFFFAOYSA-N
MW381.22 g/mol
LogP3.76
Rot. Bonds5

About N-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide

N-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide (PubChem CID 62166866) has the molecular formula C15H16IN3O and a molecular weight of 381.22 g/mol. Its IUPAC name is N-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide
PubChem CID62166866
Molecular FormulaC15H16IN3O
Molecular Weight381.22 g/mol
Exact Mass381.03
IUPAC NameN-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)Nc2ccccc2I)cn1
InChIInChI=1S/C15H16IN3O/c1-2-9-17-14-8-7-11(10-18-14)15(20)19-13-6-4-3-5-12(13)16/h3-8,10H,2,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyZXAQIGYTWGIAPC-UHFFFAOYSA-N
XLogP3.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62181665
6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172448
6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109151611
N-(3-chloro-2-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166291
N-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167021
N-(2,6-dibromophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107603238
3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62167329
N-(2-chloro-5-fluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107531151
N',N'-dimethyl-6-(propylamino)pyridine-3-carbohydrazide
CID 83024179
6-bromo-N-(2-iodophenyl)pyridine-3-carboxamide
CID 66465043
N-(2-iodophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143908
N-(3,4-difluorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 62166701

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide (CID 62166866) is N-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide is CCCNc1ccc(C(=O)Nc2ccccc2I)cn1.
What is the InChIKey of N-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is ZXAQIGYTWGIAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN3O/c1-2-9-17-14-8-7-11(10-18-14)15(20)19-13-6-4-3-5-12(13)16/h3-8,10H,2,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide?
N-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 381.22 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 62166866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).