N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(4-methyl-3-pyridinyl)indole-3-carboxamide

C23H26N4O2 — CID 134814161

IUPACN-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(4-methyl-3-pyridinyl)indole-3-carboxamide
SMILESCc1ccncc1-n1cc(C(=O)NC2CC3COCC(C2)N3C)c2ccccc21
InChIInChI=1S/C23H26N4O2/c1-15-7-8-24-11-22(15)27-12-20(19-5-3-4-6-21(19)27)23(28)25-16-9-17-13-29-14-18(10-16)26(17)2/h3-8,11-12,16-18H,9-10,13-14H2,1-2H3,(H,25,28)
InChIKeyMMXCIOJMFVOARD-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.93
Rot. Bonds3

About N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(4-methyl-3-pyridinyl)indole-3-carboxamide

N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(4-methyl-3-pyridinyl)indole-3-carboxamide (PubChem CID 134814161) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(4-methyl-3-pyridinyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(4-methyl-3-pyridinyl)indole-3-carboxamide
PubChem CID134814161
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(4-methyl-3-pyridinyl)indole-3-carboxamide
SMILESCc1ccncc1-n1cc(C(=O)NC2CC3COCC(C2)N3C)c2ccccc21
InChIInChI=1S/C23H26N4O2/c1-15-7-8-24-11-22(15)27-12-20(19-5-3-4-6-21(19)27)23(28)25-16-9-17-13-29-14-18(10-16)26(17)2/h3-8,11-12,16-18H,9-10,13-14H2,1-2H3,(H,25,28)
InChIKeyMMXCIOJMFVOARD-UHFFFAOYSA-N
XLogP2.93
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(4-methyl-3-pyridinyl)indole-3-carboxamide?
The IUPAC name of N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(4-methyl-3-pyridinyl)indole-3-carboxamide (CID 134814161) is N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(4-methyl-3-pyridinyl)indole-3-carboxamide.
What is the SMILES notation for N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(4-methyl-3-pyridinyl)indole-3-carboxamide?
The canonical SMILES for N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(4-methyl-3-pyridinyl)indole-3-carboxamide is Cc1ccncc1-n1cc(C(=O)NC2CC3COCC(C2)N3C)c2ccccc21.
What is the InChIKey of N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(4-methyl-3-pyridinyl)indole-3-carboxamide?
The InChIKey is MMXCIOJMFVOARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-7-8-24-11-22(15)27-12-20(19-5-3-4-6-21(19)27)23(28)25-16-9-17-13-29-14-18(10-16)26(17)2/h3-8,11-12,16-18H,9-10,13-14H2,1-2H3,(H,25,28).
What are the key properties of N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(4-methyl-3-pyridinyl)indole-3-carboxamide?
N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(4-methyl-3-pyridinyl)indole-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(4-methyl-3-pyridinyl)indole-3-carboxamide is sourced from PubChem (CID 134814161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).