N-(2-chloro-4-iodophenyl)-6-(ethylamino)pyridine-3-carboxamide

C14H13ClIN3O — CID 107606045

IUPACN-(2-chloro-4-iodophenyl)-6-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccc(C(=O)Nc2ccc(I)cc2Cl)cn1
InChIInChI=1S/C14H13ClIN3O/c1-2-17-13-6-3-9(8-18-13)14(20)19-12-5-4-10(16)7-11(12)15/h3-8H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyTUUGCTPKPZAPRR-UHFFFAOYSA-N
MW401.64 g/mol
LogP4.02
Rot. Bonds4

About N-(2-chloro-4-iodophenyl)-6-(ethylamino)pyridine-3-carboxamide

N-(2-chloro-4-iodophenyl)-6-(ethylamino)pyridine-3-carboxamide (PubChem CID 107606045) has the molecular formula C14H13ClIN3O and a molecular weight of 401.64 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-6-(ethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-6-(ethylamino)pyridine-3-carboxamide
PubChem CID107606045
Molecular FormulaC14H13ClIN3O
Molecular Weight401.64 g/mol
Exact Mass400.98
IUPAC NameN-(2-chloro-4-iodophenyl)-6-(ethylamino)pyridine-3-carboxamide
SMILESCCNc1ccc(C(=O)Nc2ccc(I)cc2Cl)cn1
InChIInChI=1S/C14H13ClIN3O/c1-2-17-13-6-3-9(8-18-13)14(20)19-12-5-4-10(16)7-11(12)15/h3-8H,2H2,1H3,(H,17,18)(H,19,20)
InChIKeyTUUGCTPKPZAPRR-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

6-(ethylamino)-N-(4-iodophenyl)pyridine-3-carboxamide
CID 62166329
N-(5-chloro-2-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62184893
N-(3-chloro-2-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62186613
N-(3,5-dichloro-4-fluorophenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 107578414
N-(3-chloro-4-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62184769
N-(5-chloro-2-methoxyphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62171907
N-(2,4-dichlorophenyl)-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109153838
5-chloro-N-(2-chloro-4-iodophenyl)-6-(methylamino)pyridine-3-carboxamide
CID 107606074
6-(ethylamino)-N-methylpyridine-3-carboxamide
CID 60732249
5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114922085
N-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107606098
6-(ethylamino)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 62171187

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-6-(ethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-chloro-4-iodophenyl)-6-(ethylamino)pyridine-3-carboxamide (CID 107606045) is N-(2-chloro-4-iodophenyl)-6-(ethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-6-(ethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-6-(ethylamino)pyridine-3-carboxamide is CCNc1ccc(C(=O)Nc2ccc(I)cc2Cl)cn1.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-6-(ethylamino)pyridine-3-carboxamide?
The InChIKey is TUUGCTPKPZAPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClIN3O/c1-2-17-13-6-3-9(8-18-13)14(20)19-12-5-4-10(16)7-11(12)15/h3-8H,2H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(2-chloro-4-iodophenyl)-6-(ethylamino)pyridine-3-carboxamide?
N-(2-chloro-4-iodophenyl)-6-(ethylamino)pyridine-3-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 N-(2-chloro-4-iodophenyl)-6-(ethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 107606045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).