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

C87H115N13O8 — CID 165068134

IUPAC4-[(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
SMILESCC(C)N(c1c(C(N)=O)cnc2c1C=CC2)C1C2CC3CC1CC(O)(C3)C2.CC(C)NC(=O)c1cnc2c(c1NC1C3CC4CC1CC(O)(C4)C3)C=CC2.CC(C)OC12CC3CC(C1)C(Nc1c(C(N)=O)cnc4c1C=CC4)C(C3)C2.CC(C)n1ccc2c(NC3C4CC5CC3CC(O)(C5)C4)c(C(N)=O)cnc21
InChIInChI=1S/3C22H29N3O2.C21H28N4O2/c1-12(2)27-22-8-13-6-14(9-22)19(15(7-13)10-22)25-20-16-4-3-5-18(16)24-11-17(20)21(23)26;1-12(2)25(19-14-6-13-7-15(19)10-22(27,8-13)9-14)20-16-4-3-5-18(16)24-11-17(20)21(23)26;1-12(2)24-21(26)17-11-23-18-5-3-4-16(18)20(17)25-19-14-6-13-7-15(19)10-22(27,8-13)9-14;1-11(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/h3-4,11-15,19H,5-10H2,1-2H3,(H2,23,26)(H,24,25);3-4,11-15,19,27H,5-10H2,1-2H3,(H2,23,26);3-4,11-15,19,27H,5-10H2,1-2H3,(H,23,25)(H,24,26);3-4,10-14,17,27H,5-9H2,1-2H3,(H2,22,26)(H,23,24)
InChIKeySHPHAFSTHFCLAO-UHFFFAOYSA-N
MW1470.96 g/mol
LogP12.65
Rot. Bonds17

About 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

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 (PubChem CID 165068134) has the molecular formula C87H115N13O8 and a molecular weight of 1470.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[(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
PubChem CID165068134
Molecular FormulaC87H115N13O8
Molecular Weight1470.96 g/mol
Exact Mass1469.90
IUPAC Name4-[(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
SMILESCC(C)N(c1c(C(N)=O)cnc2c1C=CC2)C1C2CC3CC1CC(O)(C3)C2.CC(C)NC(=O)c1cnc2c(c1NC1C3CC4CC1CC(O)(C4)C3)C=CC2.CC(C)OC12CC3CC(C1)C(Nc1c(C(N)=O)cnc4c1C=CC4)C(C3)C2.CC(C)n1ccc2c(NC3C4CC5CC3CC(O)(C5)C4)c(C(N)=O)cnc21
InChIInChI=1S/3C22H29N3O2.C21H28N4O2/c1-12(2)27-22-8-13-6-14(9-22)19(15(7-13)10-22)25-20-16-4-3-5-18(16)24-11-17(20)21(23)26;1-12(2)25(19-14-6-13-7-15(19)10-22(27,8-13)9-14)20-16-4-3-5-18(16)24-11-17(20)21(23)26;1-12(2)24-21(26)17-11-23-18-5-3-4-16(18)20(17)25-19-14-6-13-7-15(19)10-22(27,8-13)9-14;1-11(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/h3-4,11-15,19H,5-10H2,1-2H3,(H2,23,26)(H,24,25);3-4,11-15,19,27H,5-10H2,1-2H3,(H2,23,26);3-4,11-15,19,27H,5-10H2,1-2H3,(H,23,25)(H,24,26);3-4,10-14,17,27H,5-9H2,1-2H3,(H2,22,26)(H,23,24)
InChIKeySHPHAFSTHFCLAO-UHFFFAOYSA-N
XLogP12.65
TPSA324.11 Ų
H-Bond Donors10
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001470.96
LogP ≤ 512.65
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Related Compounds

4-[(5-hydroxy-2-adamantyl)amino]-1-propan-2-ylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 164744203
4-[(5-hydroxy-2-adamantyl)amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 76659220
4-[[(1R,3S)-5-bromo-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 58146299
[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-cyclopropyl-2-[(5-hydroxy-2-adamantyl)-propan-2-ylamino]pyrimidine-5-carboxamide
CID 140541492
4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 58146810
4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 123749490
4-[[(1S,3R)-5-hydroxy-2-adamantyl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;hydrochloride
CID 67998252
1-[4-(2-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone
CID 58146624
(3R,5S)-4-[[3-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol
CID 58146868
4-[[3-(morpholin-4-ylmethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol
CID 58146877
benzyl 4-[[5-(2-cyanoethoxy)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxylate
CID 58146771

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)N(c1c(C(N)=O)cnc2c1C=CC2)C1C2CC3CC1CC(O)(C3)C2.CC(C)NC(=O)c1cnc2c(c1NC1C3CC4CC1CC(O)(C4)C3)C=CC2.CC(C)OC12CC3CC(C1)C(Nc1c(C(N)=O)cnc4c1C=CC4)C(C3)C2.CC(C)n1ccc2c(NC3C4CC5CC3CC(O)(C5)C4)c(C(N)=O)cnc21.
What is the InChIKey of 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?
The InChIKey is SHPHAFSTHFCLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H29N3O2.C21H28N4O2/c1-12(2)27-22-8-13-6-14(9-22)19(15(7-13)10-22)25-20-16-4-3-5-18(16)24-11-17(20)21(23)26;1-12(2)25(19-14-6-13-7-15(19)10-22(27,8-13)9-14)20-16-4-3-5-18(16)24-11-17(20)21(23)26;1-12(2)24-21(26)17-11-23-18-5-3-4-16(18)20(17)25-19-14-6-13-7-15(19)10-22(27,8-13)9-14;1-11(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/h3-4,11-15,19H,5-10H2,1-2H3,(H2,23,26)(H,24,25);3-4,11-15,19,27H,5-10H2,1-2H3,(H2,23,26);3-4,11-15,19,27H,5-10H2,1-2H3,(H,23,25)(H,24,26);3-4,10-14,17,27H,5-9H2,1-2H3,(H2,22,26)(H,23,24).
What are the key properties of 4-[(5-hydroxy-2-adamantyl)amino]-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?
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 has a molecular weight of 1470.96 g/mol, XLogP of 12.65, 17 rotatable bonds, 10 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165068134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).