4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide

C24H27N5O2 — CID 58146810

IUPAC4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
SMILESN#CC1CN(C(=O)C23CC4CC(C2)C(Nc2c(C(N)=O)cnc5c2C=CC5)C(C4)C3)C1
InChIInChI=1S/C24H27N5O2/c25-9-14-11-29(12-14)23(31)24-6-13-4-15(7-24)20(16(5-13)8-24)28-21-17-2-1-3-19(17)27-10-18(21)22(26)30/h1-2,10,13-16,20H,3-8,11-12H2,(H2,26,30)(H,27,28)
InChIKeyRNBBNPGHZXSYPS-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.34
Rot. Bonds4

About 4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide

4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 58146810) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID58146810
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
SMILESN#CC1CN(C(=O)C23CC4CC(C2)C(Nc2c(C(N)=O)cnc5c2C=CC5)C(C4)C3)C1
InChIInChI=1S/C24H27N5O2/c25-9-14-11-29(12-14)23(31)24-6-13-4-15(7-24)20(16(5-13)8-24)28-21-17-2-1-3-19(17)27-10-18(21)22(26)30/h1-2,10,13-16,20H,3-8,11-12H2,(H2,26,30)(H,27,28)
InChIKeyRNBBNPGHZXSYPS-UHFFFAOYSA-N
XLogP2.34
TPSA112.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
4-[[(1R,2R,3R,4R,5S)-4-hydroxy-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 123749490
benzyl 4-[[5-(2-cyanoethoxy)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxylate
CID 58146771
7-[(5-cyano-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide
CID 58146765
1-[4-(2-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone
CID 58146624
7-[(5-fluoro-2-adamantyl)amino]-3H-pyrrolo[3,2-b]pyridine-6-carboxamide
CID 58146802
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
4-[[(1S,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide
CID 58146937
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
1-[4-(1-adamantylamino)-7H-cyclopenta[b]pyridin-3-yl]ethanone
CID 58146328
4-[[3-(morpholin-4-ylmethyl)-7H-cyclopenta[b]pyridin-4-yl]amino]adamantan-1-ol
CID 58146877

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide (CID 58146810) is 4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide is N#CC1CN(C(=O)C23CC4CC(C2)C(Nc2c(C(N)=O)cnc5c2C=CC5)C(C4)C3)C1.
What is the InChIKey of 4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is RNBBNPGHZXSYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c25-9-14-11-29(12-14)23(31)24-6-13-4-15(7-24)20(16(5-13)8-24)28-21-17-2-1-3-19(17)27-10-18(21)22(26)30/h1-2,10,13-16,20H,3-8,11-12H2,(H2,26,30)(H,27,28).
What are the key properties of 4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide?
4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-cyanoazetidine-1-carbonyl)-2-adamantyl]amino]-7H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 58146810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).