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

C24H26N4O2 — CID 70792279

IUPAC4-[(5-hydroxy-2-adamantyl)amino]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C24H26N4O2/c29-23(27-17-4-2-1-3-5-17)19-13-26-22-18(6-7-25-22)21(19)28-20-15-8-14-9-16(20)12-24(30,10-14)11-15/h1-7,13-16,20,30H,8-12H2,(H,27,29)(H2,25,26,28)
InChIKeyIFIGNXMCBIQIJR-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.17
Rot. Bonds4

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

4-[(5-hydroxy-2-adamantyl)amino]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 70792279) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 4-[(5-hydroxy-2-adamantyl)amino]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(5-hydroxy-2-adamantyl)amino]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID70792279
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name4-[(5-hydroxy-2-adamantyl)amino]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C24H26N4O2/c29-23(27-17-4-2-1-3-5-17)19-13-26-22-18(6-7-25-22)21(19)28-20-15-8-14-9-16(20)12-24(30,10-14)11-15/h1-7,13-16,20,30H,8-12H2,(H,27,29)(H2,25,26,28)
InChIKeyIFIGNXMCBIQIJR-UHFFFAOYSA-N
XLogP4.17
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride
CID 67998252
N-[(4-cyanophenyl)methyl]-4-[(5-hydroxy-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 70792178
[(Z)-1-aminoethylideneamino] 4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 87206460
4-[[5-(nitrosomethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]adamantan-1-ol
CID 90743712
methyl 4-[(5-methyl-2-adamantyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 157468591
7-[[(1S,3S)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 66924098
4-[[5-(2-cyanoethoxy)-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 66924315
4-[(5-hydroxy-2-tricyclo[3.3.0.03,7]octanyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 155177696
(3R,5S)-4-(3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)adamantan-1-ol
CID 66726973
4-(3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)adamantan-1-ol
CID 66727116
N'-hydroxy-4-[[(2R,7S)-1-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboximidamide
CID 173032256
4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 164744203

Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydroxy-2-adamantyl)amino]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(5-hydroxy-2-adamantyl)amino]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 70792279) is 4-[(5-hydroxy-2-adamantyl)amino]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(5-hydroxy-2-adamantyl)amino]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(5-hydroxy-2-adamantyl)amino]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is O=C(Nc1ccccc1)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 4-[(5-hydroxy-2-adamantyl)amino]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is IFIGNXMCBIQIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-23(27-17-4-2-1-3-5-17)19-13-26-22-18(6-7-25-22)21(19)28-20-15-8-14-9-16(20)12-24(30,10-14)11-15/h1-7,13-16,20,30H,8-12H2,(H,27,29)(H2,25,26,28).
What are the key properties of 4-[(5-hydroxy-2-adamantyl)amino]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[(5-hydroxy-2-adamantyl)amino]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 4.17, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydroxy-2-adamantyl)amino]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 70792279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).