N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide

C24H32N4O2 — CID 155520642

IUPACN-(1-adamantyl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cc2cccnc2n1CCN1CCOCC1
InChIInChI=1S/C24H32N4O2/c29-23(26-24-14-17-10-18(15-24)12-19(11-17)16-24)21-13-20-2-1-3-25-22(20)28(21)5-4-27-6-8-30-9-7-27/h1-3,13,17-19H,4-12,14-16H2,(H,26,29)
InChIKeyKWURPXZOVULENK-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.07
Rot. Bonds5

About N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide

N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 155520642) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID155520642
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-(1-adamantyl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1cc2cccnc2n1CCN1CCOCC1
InChIInChI=1S/C24H32N4O2/c29-23(26-24-14-17-10-18(15-24)12-19(11-17)16-24)21-13-20-2-1-3-25-22(20)28(21)5-4-27-6-8-30-9-7-27/h1-3,13,17-19H,4-12,14-16H2,(H,26,29)
InChIKeyKWURPXZOVULENK-UHFFFAOYSA-N
XLogP3.07
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 44600649
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CID 137638337
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CID 137650313
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CID 16124179
CID 16124179
CID 24856513
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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide (CID 155520642) is N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2cccnc2n1CCN1CCOCC1.
What is the InChIKey of N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is KWURPXZOVULENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c29-23(26-24-14-17-10-18(15-24)12-19(11-17)16-24)21-13-20-2-1-3-25-22(20)28(21)5-4-27-6-8-30-9-7-27/h1-3,13,17-19H,4-12,14-16H2,(H,26,29).
What are the key properties of N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide?
N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155520642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).