2-(1-adamantyl)-N-(2,4-dichlorophenyl)pyridine-4-carboxamide

C22H22Cl2N2O — CID 4731536

IUPAC2-(1-adamantyl)-N-(2,4-dichlorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccnc(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C22H22Cl2N2O/c23-17-1-2-19(18(24)9-17)26-21(27)16-3-4-25-20(8-16)22-10-13-5-14(11-22)7-15(6-13)12-22/h1-4,8-9,13-15H,5-7,10-12H2,(H,26,27)
InChIKeyRLPXBYDWPZGJDB-UHFFFAOYSA-N
MW401.34 g/mol
LogP6.11
Rot. Bonds3

About 2-(1-adamantyl)-N-(2,4-dichlorophenyl)pyridine-4-carboxamide

2-(1-adamantyl)-N-(2,4-dichlorophenyl)pyridine-4-carboxamide (PubChem CID 4731536) has the molecular formula C22H22Cl2N2O and a molecular weight of 401.34 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(2,4-dichlorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(2,4-dichlorophenyl)pyridine-4-carboxamide
PubChem CID4731536
Molecular FormulaC22H22Cl2N2O
Molecular Weight401.34 g/mol
Exact Mass400.11
IUPAC Name2-(1-adamantyl)-N-(2,4-dichlorophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccnc(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C22H22Cl2N2O/c23-17-1-2-19(18(24)9-17)26-21(27)16-3-4-25-20(8-16)22-10-13-5-14(11-22)7-15(6-13)12-22/h1-4,8-9,13-15H,5-7,10-12H2,(H,26,27)
InChIKeyRLPXBYDWPZGJDB-UHFFFAOYSA-N
XLogP6.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.34
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-adamantyl)-N-(4-iodophenyl)pyridine-4-carboxamide
CID 4731524
2-(1-adamantyl)-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
CID 4731557
2-cyano-N-(2,4-dichlorophenyl)pyridine-4-carboxamide
CID 112523952
2-N-cyclohexyl-4-N-(2,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081635
N-(2,4-dichlorophenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62186931
N-(2,4-dichlorophenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083093
1-N-cyclopentyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109044538
2-bromo-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
CID 113255485
N-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]pyridine-4-carboxamide
CID 109167896
N-(2,4-dichlorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-4-carboxamide
CID 109178937
2-[4-[[4-(1-adamantyl)-2-chlorophenyl]carbamoyl]anilino]pyridine-3-carboxylic acid
CID 155133862
1-N-cyclopropyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043435

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(2,4-dichlorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(1-adamantyl)-N-(2,4-dichlorophenyl)pyridine-4-carboxamide (CID 4731536) is 2-(1-adamantyl)-N-(2,4-dichlorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(2,4-dichlorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(1-adamantyl)-N-(2,4-dichlorophenyl)pyridine-4-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1ccnc(C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 2-(1-adamantyl)-N-(2,4-dichlorophenyl)pyridine-4-carboxamide?
The InChIKey is RLPXBYDWPZGJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O/c23-17-1-2-19(18(24)9-17)26-21(27)16-3-4-25-20(8-16)22-10-13-5-14(11-22)7-15(6-13)12-22/h1-4,8-9,13-15H,5-7,10-12H2,(H,26,27).
What are the key properties of 2-(1-adamantyl)-N-(2,4-dichlorophenyl)pyridine-4-carboxamide?
2-(1-adamantyl)-N-(2,4-dichlorophenyl)pyridine-4-carboxamide has a molecular weight of 401.34 g/mol, XLogP of 6.11, 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-(2,4-dichlorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 4731536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).