4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide

C19H23N3O2 — CID 123749490

IUPAC4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2c(c1N[C@@H]1[C@@H]3CC4C[C@@H](C3)[C@@H](O)[C@@H]1C4)C=CC2
InChIInChI=1S/C19H23N3O2/c20-19(24)14-8-21-15-3-1-2-12(15)17(14)22-16-10-4-9-5-11(7-10)18(23)13(16)6-9/h1-2,8-11,13,16,18,23H,3-7H2,(H2,20,24)(H,21,22)/t9?,10-,11+,13-,16-,18-/m1/s1
InChIKeyYUXRZZKLAZZYDL-MPLODUBHSA-N
MW325.41 g/mol
LogP1.96
Rot. Bonds3

About 4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide

4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 123749490) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID123749490
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2c(c1N[C@@H]1[C@@H]3CC4C[C@@H](C3)[C@@H](O)[C@@H]1C4)C=CC2
InChIInChI=1S/C19H23N3O2/c20-19(24)14-8-21-15-3-1-2-12(15)17(14)22-16-10-4-9-5-11(7-10)18(23)13(16)6-9/h1-2,8-11,13,16,18,23H,3-7H2,(H2,20,24)(H,21,22)/t9?,10-,11+,13-,16-,18-/m1/s1
InChIKeyYUXRZZKLAZZYDL-MPLODUBHSA-N
XLogP1.96
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide with MolForge

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Related Compounds

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
1-[4-(2-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone
CID 58146624
4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 58146810
4-[[(1S,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 58146937
4-[[(1S,5S)-8-(3,3-dimethyl-2-oxobutyl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 58146602
4-[[(1R,5S)-8-(5-cyano-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 58146819
1-[4-(1-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone
CID 58146328
7-[(5-cyano-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide
CID 58146765
7-[(5-fluoro-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide
CID 58146802
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
(3R,5S)-4-[[3-[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol
CID 58146868

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide (CID 123749490) is 4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide is NC(=O)c1cnc2c(c1N[C@@H]1[C@@H]3CC4C[C@@H](C3)[C@@H](O)[C@@H]1C4)C=CC2.
What is the InChIKey of 4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is YUXRZZKLAZZYDL-MPLODUBHSA-N. The full InChI is InChI=1S/C19H23N3O2/c20-19(24)14-8-21-15-3-1-2-12(15)17(14)22-16-10-4-9-5-11(7-10)18(23)13(16)6-9/h1-2,8-11,13,16,18,23H,3-7H2,(H2,20,24)(H,21,22)/t9?,10-,11+,13-,16-,18-/m1/s1.
What are the key properties of 4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 123749490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).