4-[(5-hydroxy-2-adamantyl)amino]-6-(4-methoxyanilino)pyridine-3-carboxamide;toluene

C30H36N4O3 — CID 143999950

IUPAC4-[(5-hydroxy-2-adamantyl)amino]-6-(4-methoxyanilino)pyridine-3-carboxamide;toluene
SMILESCOc1ccc(Nc2cc(NC3C4CC5CC3CC(O)(C5)C4)c(C(N)=O)cn2)cc1.Cc1ccccc1
InChIInChI=1S/C23H28N4O3.C7H8/c1-30-17-4-2-16(3-5-17)26-20-8-19(18(12-25-20)22(24)28)27-21-14-6-13-7-15(21)11-23(29,9-13)10-14;1-7-5-3-2-4-6-7/h2-5,8,12-15,21,29H,6-7,9-11H2,1H3,(H2,24,28)(H2,25,26,27);2-6H,1H3
InChIKeyWFACUGIRARINSO-UHFFFAOYSA-N
MW500.64 g/mol
LogP5.28
Rot. Bonds6

About 4-[(5-hydroxy-2-adamantyl)amino]-6-(4-methoxyanilino)pyridine-3-carboxamide;toluene

4-[(5-hydroxy-2-adamantyl)amino]-6-(4-methoxyanilino)pyridine-3-carboxamide;toluene (PubChem CID 143999950) has the molecular formula C30H36N4O3 and a molecular weight of 500.64 g/mol. Its IUPAC name is 4-[(5-hydroxy-2-adamantyl)amino]-6-(4-methoxyanilino)pyridine-3-carboxamide;toluene.

Molecular Properties

Compound Name4-[(5-hydroxy-2-adamantyl)amino]-6-(4-methoxyanilino)pyridine-3-carboxamide;toluene
PubChem CID143999950
Molecular FormulaC30H36N4O3
Molecular Weight500.64 g/mol
Exact Mass500.28
IUPAC Name4-[(5-hydroxy-2-adamantyl)amino]-6-(4-methoxyanilino)pyridine-3-carboxamide;toluene
SMILESCOc1ccc(Nc2cc(NC3C4CC5CC3CC(O)(C5)C4)c(C(N)=O)cn2)cc1.Cc1ccccc1
InChIInChI=1S/C23H28N4O3.C7H8/c1-30-17-4-2-16(3-5-17)26-20-8-19(18(12-25-20)22(24)28)27-21-14-6-13-7-15(21)11-23(29,9-13)10-14;1-7-5-3-2-4-6-7/h2-5,8,12-15,21,29H,6-7,9-11H2,1H3,(H2,24,28)(H2,25,26,27);2-6H,1H3
InChIKeyWFACUGIRARINSO-UHFFFAOYSA-N
XLogP5.28
TPSA109.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 55.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydroxy-2-adamantyl)amino]-6-(4-methoxyanilino)pyridine-3-carboxamide;toluene?
The IUPAC name of 4-[(5-hydroxy-2-adamantyl)amino]-6-(4-methoxyanilino)pyridine-3-carboxamide;toluene (CID 143999950) is 4-[(5-hydroxy-2-adamantyl)amino]-6-(4-methoxyanilino)pyridine-3-carboxamide;toluene.
What is the SMILES notation for 4-[(5-hydroxy-2-adamantyl)amino]-6-(4-methoxyanilino)pyridine-3-carboxamide;toluene?
The canonical SMILES for 4-[(5-hydroxy-2-adamantyl)amino]-6-(4-methoxyanilino)pyridine-3-carboxamide;toluene is COc1ccc(Nc2cc(NC3C4CC5CC3CC(O)(C5)C4)c(C(N)=O)cn2)cc1.Cc1ccccc1.
What is the InChIKey of 4-[(5-hydroxy-2-adamantyl)amino]-6-(4-methoxyanilino)pyridine-3-carboxamide;toluene?
The InChIKey is WFACUGIRARINSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3.C7H8/c1-30-17-4-2-16(3-5-17)26-20-8-19(18(12-25-20)22(24)28)27-21-14-6-13-7-15(21)11-23(29,9-13)10-14;1-7-5-3-2-4-6-7/h2-5,8,12-15,21,29H,6-7,9-11H2,1H3,(H2,24,28)(H2,25,26,27);2-6H,1H3.
What are the key properties of 4-[(5-hydroxy-2-adamantyl)amino]-6-(4-methoxyanilino)pyridine-3-carboxamide;toluene?
4-[(5-hydroxy-2-adamantyl)amino]-6-(4-methoxyanilino)pyridine-3-carboxamide;toluene has a molecular weight of 500.64 g/mol, XLogP of 5.28, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydroxy-2-adamantyl)amino]-6-(4-methoxyanilino)pyridine-3-carboxamide;toluene is sourced from PubChem (CID 143999950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).