1-[8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]indole-6-carboxamide

C22H24N4O — CID 167388565

IUPAC1-[8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]indole-6-carboxamide
SMILESNC(=O)c1ccc2ccn(C3CC4CCC(C3)N4Cc3cccnc3)c2c1
InChIInChI=1S/C22H24N4O/c23-22(27)17-4-3-16-7-9-25(21(16)10-17)20-11-18-5-6-19(12-20)26(18)14-15-2-1-8-24-13-15/h1-4,7-10,13,18-20H,5-6,11-12,14H2,(H2,23,27)
InChIKeyQUYGESWCYUNDPT-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.50
Rot. Bonds4

About 1-[8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]indole-6-carboxamide

1-[8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]indole-6-carboxamide (PubChem CID 167388565) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]indole-6-carboxamide.

Molecular Properties

Compound Name1-[8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]indole-6-carboxamide
PubChem CID167388565
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-[8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]indole-6-carboxamide
SMILESNC(=O)c1ccc2ccn(C3CC4CCC(C3)N4Cc3cccnc3)c2c1
InChIInChI=1S/C22H24N4O/c23-22(27)17-4-3-16-7-9-25(21(16)10-17)20-11-18-5-6-19(12-20)26(18)14-15-2-1-8-24-13-15/h1-4,7-10,13,18-20H,5-6,11-12,14H2,(H2,23,27)
InChIKeyQUYGESWCYUNDPT-UHFFFAOYSA-N
XLogP3.50
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]indole-6-carboxamide?
The IUPAC name of 1-[8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]indole-6-carboxamide (CID 167388565) is 1-[8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]indole-6-carboxamide.
What is the SMILES notation for 1-[8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]indole-6-carboxamide?
The canonical SMILES for 1-[8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]indole-6-carboxamide is NC(=O)c1ccc2ccn(C3CC4CCC(C3)N4Cc3cccnc3)c2c1.
What is the InChIKey of 1-[8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]indole-6-carboxamide?
The InChIKey is QUYGESWCYUNDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c23-22(27)17-4-3-16-7-9-25(21(16)10-17)20-11-18-5-6-19(12-20)26(18)14-15-2-1-8-24-13-15/h1-4,7-10,13,18-20H,5-6,11-12,14H2,(H2,23,27).
What are the key properties of 1-[8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]indole-6-carboxamide?
1-[8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]indole-6-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(pyridin-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]indole-6-carboxamide is sourced from PubChem (CID 167388565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).