3-chloro-6-(ethylamino)-N-(2-iodophenyl)pyridine-2-carboxamide

C14H13ClIN3O — CID 62167177

IUPAC3-chloro-6-(ethylamino)-N-(2-iodophenyl)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)Nc2ccccc2I)n1
InChIInChI=1S/C14H13ClIN3O/c1-2-17-12-8-7-9(15)13(19-12)14(20)18-11-6-4-3-5-10(11)16/h3-8H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyVKLJIEHVCSKQTN-UHFFFAOYSA-N
MW401.64 g/mol
LogP4.02
Rot. Bonds4

About 3-chloro-6-(ethylamino)-N-(2-iodophenyl)pyridine-2-carboxamide

3-chloro-6-(ethylamino)-N-(2-iodophenyl)pyridine-2-carboxamide (PubChem CID 62167177) has the molecular formula C14H13ClIN3O and a molecular weight of 401.64 g/mol. Its IUPAC name is 3-chloro-6-(ethylamino)-N-(2-iodophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(ethylamino)-N-(2-iodophenyl)pyridine-2-carboxamide
PubChem CID62167177
Molecular FormulaC14H13ClIN3O
Molecular Weight401.64 g/mol
Exact Mass400.98
IUPAC Name3-chloro-6-(ethylamino)-N-(2-iodophenyl)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)Nc2ccccc2I)n1
InChIInChI=1S/C14H13ClIN3O/c1-2-17-12-8-7-9(15)13(19-12)14(20)18-11-6-4-3-5-10(11)16/h3-8H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyVKLJIEHVCSKQTN-UHFFFAOYSA-N
XLogP4.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.64
LogP ≤ 54.02
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

3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62167329
3-chloro-N-(4-chloro-2-iodophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 107631458
3-chloro-N-(2-chloro-5-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 107631276
3-chloro-N-(5-chloro-2-methylphenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62185558
N-(2-bromophenyl)-3-chloro-6-(propylamino)pyridine-2-carboxamide
CID 62165496
3-chloro-N-(2,5-difluorophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62172239
3-chloro-6-(ethylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62165390
3-chloro-6-(ethylamino)-N-(4-fluoro-2-methylphenyl)pyridine-2-carboxamide
CID 62165196
3-chloro-6-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 62165294
3-chloro-6-(ethylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62170609
3-chloro-N-(3-cyanophenyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62166201
3-chloro-6-(ethylamino)-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 62187265

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(ethylamino)-N-(2-iodophenyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(ethylamino)-N-(2-iodophenyl)pyridine-2-carboxamide (CID 62167177) is 3-chloro-6-(ethylamino)-N-(2-iodophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(ethylamino)-N-(2-iodophenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(ethylamino)-N-(2-iodophenyl)pyridine-2-carboxamide is CCNc1ccc(Cl)c(C(=O)Nc2ccccc2I)n1.
What is the InChIKey of 3-chloro-6-(ethylamino)-N-(2-iodophenyl)pyridine-2-carboxamide?
The InChIKey is VKLJIEHVCSKQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClIN3O/c1-2-17-12-8-7-9(15)13(19-12)14(20)18-11-6-4-3-5-10(11)16/h3-8H,2H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 3-chloro-6-(ethylamino)-N-(2-iodophenyl)pyridine-2-carboxamide?
3-chloro-6-(ethylamino)-N-(2-iodophenyl)pyridine-2-carboxamide has a molecular weight of 401.64 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(ethylamino)-N-(2-iodophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62167177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).