2-(1-adamantyl)-N-(4-iodophenyl)pyridine-4-carboxamide

C22H23IN2O — CID 4731524

IUPAC2-(1-adamantyl)-N-(4-iodophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(I)cc1)c1ccnc(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C22H23IN2O/c23-18-1-3-19(4-2-18)25-21(26)17-5-6-24-20(10-17)22-11-14-7-15(12-22)9-16(8-14)13-22/h1-6,10,14-16H,7-9,11-13H2,(H,25,26)
InChIKeyNDWNNYFOCWXJFX-UHFFFAOYSA-N
MW458.34 g/mol
LogP5.41
Rot. Bonds3

About 2-(1-adamantyl)-N-(4-iodophenyl)pyridine-4-carboxamide

2-(1-adamantyl)-N-(4-iodophenyl)pyridine-4-carboxamide (PubChem CID 4731524) has the molecular formula C22H23IN2O and a molecular weight of 458.34 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(4-iodophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(4-iodophenyl)pyridine-4-carboxamide
PubChem CID4731524
Molecular FormulaC22H23IN2O
Molecular Weight458.34 g/mol
Exact Mass458.09
IUPAC Name2-(1-adamantyl)-N-(4-iodophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(I)cc1)c1ccnc(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C22H23IN2O/c23-18-1-3-19(4-2-18)25-21(26)17-5-6-24-20(10-17)22-11-14-7-15(12-22)9-16(8-14)13-22/h1-6,10,14-16H,7-9,11-13H2,(H,25,26)
InChIKeyNDWNNYFOCWXJFX-UHFFFAOYSA-N
XLogP5.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.34
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-adamantyl)-N-(2,4-dichlorophenyl)pyridine-4-carboxamide
CID 4731536
2-(1-adamantyl)-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
CID 4731557
methyl 2-[[2-(1-adamantyl)pyridine-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4731472
2-(ethylamino)-N-(4-iodophenyl)pyridine-4-carboxamide
CID 62166650
1-N,3-N,5-N-tris(4-iodophenyl)benzene-1,3,5-tricarboxamide
CID 102258249
2-(1-adamantyl)-N'-(2-nitrobenzoyl)pyridine-4-carbohydrazide
CID 4731545
N-(4-iodophenyl)quinoline-6-carboxamide
CID 60723213
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide
CID 86118799
N-(4-iodophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847714
N-[4-(1-adamantyl)phenyl]-3-(methanesulfonamido)benzamide
CID 41448880
4-[[2-[4-[(4-carboxyphenyl)carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]benzoic acid
CID 102503336

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(4-iodophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(1-adamantyl)-N-(4-iodophenyl)pyridine-4-carboxamide (CID 4731524) is 2-(1-adamantyl)-N-(4-iodophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(4-iodophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(1-adamantyl)-N-(4-iodophenyl)pyridine-4-carboxamide is O=C(Nc1ccc(I)cc1)c1ccnc(C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 2-(1-adamantyl)-N-(4-iodophenyl)pyridine-4-carboxamide?
The InChIKey is NDWNNYFOCWXJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23IN2O/c23-18-1-3-19(4-2-18)25-21(26)17-5-6-24-20(10-17)22-11-14-7-15(12-22)9-16(8-14)13-22/h1-6,10,14-16H,7-9,11-13H2,(H,25,26).
What are the key properties of 2-(1-adamantyl)-N-(4-iodophenyl)pyridine-4-carboxamide?
2-(1-adamantyl)-N-(4-iodophenyl)pyridine-4-carboxamide has a molecular weight of 458.34 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(4-iodophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 4731524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).