4-[(6-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C18H22N4O2 — CID 155518349

IUPAC4-[(6-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(C2)C3O
InChIInChI=1S/C18H22N4O2/c19-17(24)13-7-21-18-12(1-2-20-18)15(13)22-14-8-3-10-5-9(14)6-11(4-8)16(10)23/h1-2,7-11,14,16,23H,3-6H2,(H2,19,24)(H2,20,21,22)
InChIKeyTUILFXWQRBKSAW-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.87
Rot. Bonds3

About 4-[(6-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[(6-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 155518349) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[(6-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(6-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID155518349
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-[(6-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(C2)C3O
InChIInChI=1S/C18H22N4O2/c19-17(24)13-7-21-18-12(1-2-20-18)15(13)22-14-8-3-10-5-9(14)6-11(4-8)16(10)23/h1-2,7-11,14,16,23H,3-6H2,(H2,19,24)(H2,20,21,22)
InChIKeyTUILFXWQRBKSAW-UHFFFAOYSA-N
XLogP1.87
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Peficitinib
CID 57928403
4-((5-hydroxy-2-adamantyl)amino)-1H-pyrrolo(2,3-b)pyridine-5-carboxamide
CID 57928435
Peficitinib Impurity 12
CID 57928826
Peficitinib (hydrobromide)
CID 76370451
4-[[(1S,2R)-2-methylcyclohexyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 11993785
4-[(5-fluoro-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 57928260
4-(2-adamantylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 57928583
4-(1-adamantylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 57928632
4-[[(1S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 89553848
3-[[4-(11-Methyl-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-13-yl)cyclohexyl]methoxy]propanenitrile
CID 78324306
N-(adamantan-1-yl)-1-(5-hydroxypentyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 155565124
2-[13-[4-(Hydroxymethyl)cyclohexyl]-10-oxo-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-11-yl]acetonitrile
CID 78324309

Frequently Asked Questions

What is the IUPAC name of 4-[(6-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(6-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 155518349) is 4-[(6-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(6-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(6-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(C2)C3O.
What is the InChIKey of 4-[(6-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is TUILFXWQRBKSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c19-17(24)13-7-21-18-12(1-2-20-18)15(13)22-14-8-3-10-5-9(14)6-11(4-8)16(10)23/h1-2,7-11,14,16,23H,3-6H2,(H2,19,24)(H2,20,21,22).
What are the key properties of 4-[(6-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[(6-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.87, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 155518349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).