4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide

C21H28N4O2 — CID 164744203

IUPAC4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCC(C)n1ccc2c(NC3C4CC5CC3CC(O)(C5)C4)c(C(N)=O)cnc21
InChIInChI=1S/C21H28N4O2/c1-11(2)25-4-3-15-18(16(19(22)26)10-23-20(15)25)24-17-13-5-12-6-14(17)9-21(27,7-12)8-13/h3-4,10-14,17,27H,5-9H2,1-2H3,(H2,22,26)(H,23,24)
InChIKeyCATOZHYQPYJVCT-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.07
Rot. Bonds4

About 4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide

4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 164744203) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID164744203
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCC(C)n1ccc2c(NC3C4CC5CC3CC(O)(C5)C4)c(C(N)=O)cnc21
InChIInChI=1S/C21H28N4O2/c1-11(2)25-4-3-15-18(16(19(22)26)10-23-20(15)25)24-17-13-5-12-6-14(17)9-21(27,7-12)8-13/h3-4,10-14,17,27H,5-9H2,1-2H3,(H2,22,26)(H,23,24)
InChIKeyCATOZHYQPYJVCT-UHFFFAOYSA-N
XLogP3.07
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[5-carbamoyl-4-[(5-hydroxy-2-adamantyl)amino]pyrrolo[2,3-b]pyridin-1-yl]methyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 171457761
4-[(5-hydroxy-2-adamantyl)amino]-N-propan-2-yl-7H-cyclopenta[b]pyridine-3-carboxamide;4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide;4-[(5-hydroxy-2-adamantyl)-propan-2-ylamino]-7H-cyclopenta[b]pyridine-3-carboxamide;4-[(5-propan-2-yloxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 165068134
4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride
CID 67998252
4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 76659220
[(Z)-1-aminoethylideneamino] 4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 87206460
4-[[(1R,3S)-5-bromo-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 58146299
4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-6-[(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)methyl]pyridine-3-carboxamide
CID 58440359
6-[[5-(dimethylcarbamoyl)-2-pyridinyl]amino]-4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]pyridine-3-carboxamide
CID 67371262
7-[[(1S,3S)-5-hydroxy-2-adamantyl]amino]-N-methyl-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 66924098
4-[(5-hydroxy-2-adamantyl)amino]-N-phenyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 70792279
4-[[(1R,3S)-5-hydroxy-2-adamantyl]amino]-6-(pyrazin-2-ylamino)pyridine-3-carboxamide
CID 67371527
ethyl 7-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-1H-imidazo[4,5-b]pyridin-3-ium-6-carboxylate
CID 123462747

Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide (CID 164744203) is 4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide is CC(C)n1ccc2c(NC3C4CC5CC3CC(O)(C5)C4)c(C(N)=O)cnc21.
What is the InChIKey of 4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is CATOZHYQPYJVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-11(2)25-4-3-15-18(16(19(22)26)10-23-20(15)25)24-17-13-5-12-6-14(17)9-21(27,7-12)8-13/h3-4,10-14,17,27H,5-9H2,1-2H3,(H2,22,26)(H,23,24).
What are the key properties of 4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide?
4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 164744203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).