N-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide

C28H43N3O — CID 149314243

IUPACN-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide
SMILESO=C(Nc1cnc2[nH]ccc2c1C1CCCCCCCC1)C1CCCCCCCCCC1
InChIInChI=1S/C28H43N3O/c32-28(23-17-13-9-3-1-2-4-10-14-18-23)31-25-21-30-27-24(19-20-29-27)26(25)22-15-11-7-5-6-8-12-16-22/h19-23H,1-18H2,(H,29,30)(H,31,32)
InChIKeyLJIQAXPECHQIDF-UHFFFAOYSA-N
MW437.67 g/mol
LogP8.25
Rot. Bonds3

About N-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide

N-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide (PubChem CID 149314243) has the molecular formula C28H43N3O and a molecular weight of 437.67 g/mol. Its IUPAC name is N-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide.

Molecular Properties

Compound NameN-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide
PubChem CID149314243
Molecular FormulaC28H43N3O
Molecular Weight437.67 g/mol
Exact Mass437.34
IUPAC NameN-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide
SMILESO=C(Nc1cnc2[nH]ccc2c1C1CCCCCCCC1)C1CCCCCCCCCC1
InChIInChI=1S/C28H43N3O/c32-28(23-17-13-9-3-1-2-4-10-14-18-23)31-25-21-30-27-24(19-20-29-27)26(25)22-15-11-7-5-6-8-12-16-22/h19-23H,1-18H2,(H,29,30)(H,31,32)
InChIKeyLJIQAXPECHQIDF-UHFFFAOYSA-N
XLogP8.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.67
LogP ≤ 58.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-cyclooctyl-1H-pyrazolo[3,4-b]pyridin-5-yl)cyclononanecarboxamide
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N-[4-(cyclooctatetraenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclononanecarboxamide
CID 123598674
N-(7-cyclooctylthieno[3,2-b]pyridin-6-yl)cyclooctanecarboxamide
CID 126486281
N-(4-cyclooctyl-6-ethyl-5-propyl-3-pyridinyl)cyclooctanecarboxamide
CID 139313066
N-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclooctanecarboxamide
CID 146616100
N-[4-cyclooctyl-5-(methylamino)-6-[(Z)-prop-1-enyl]-3-pyridinyl]cyclononanecarboxamide
CID 129310479
4-(aminomethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)cyclohexane-1-carboxamide;dihydrobromide
CID 18998617
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-(4-cyclononylquinolin-3-yl)cyclodecapentaenecarboxamide
CID 126486274
N-[4-(cyclodecapentaenyl)-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl]cycloundecanecarboxamide
CID 155453112
N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide
CID 155537883
N-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide?
The IUPAC name of N-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide (CID 149314243) is N-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide.
What is the SMILES notation for N-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide?
The canonical SMILES for N-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide is O=C(Nc1cnc2[nH]ccc2c1C1CCCCCCCC1)C1CCCCCCCCCC1.
What is the InChIKey of N-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide?
The InChIKey is LJIQAXPECHQIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43N3O/c32-28(23-17-13-9-3-1-2-4-10-14-18-23)31-25-21-30-27-24(19-20-29-27)26(25)22-15-11-7-5-6-8-12-16-22/h19-23H,1-18H2,(H,29,30)(H,31,32).
What are the key properties of N-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide?
N-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide has a molecular weight of 437.67 g/mol, XLogP of 8.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclononyl-1H-pyrrolo[2,3-b]pyridin-5-yl)cycloundecanecarboxamide is sourced from PubChem (CID 149314243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).