5-methoxy-1-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)indole-2-carboxamide

C26H30N4O2 — CID 131898552

IUPAC5-methoxy-1-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)indole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NC1C3CN4CCN(C3)CC1(c1ccccc1)C4)n2C
InChIInChI=1S/C26H30N4O2/c1-28-22-9-8-21(32-2)12-18(22)13-23(28)25(31)27-24-19-14-29-10-11-30(15-19)17-26(24,16-29)20-6-4-3-5-7-20/h3-9,12-13,19,24H,10-11,14-17H2,1-2H3,(H,27,31)
InChIKeyFASFAQVYOYQATJ-UHFFFAOYSA-N
MW430.55 g/mol
LogP2.48
Rot. Bonds4

About 5-methoxy-1-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)indole-2-carboxamide

5-methoxy-1-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)indole-2-carboxamide (PubChem CID 131898552) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 5-methoxy-1-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)indole-2-carboxamide
PubChem CID131898552
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name5-methoxy-1-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)indole-2-carboxamide
SMILESCOc1ccc2c(c1)cc(C(=O)NC1C3CN4CCN(C3)CC1(c1ccccc1)C4)n2C
InChIInChI=1S/C26H30N4O2/c1-28-22-9-8-21(32-2)12-18(22)13-23(28)25(31)27-24-19-14-29-10-11-30(15-19)17-26(24,16-29)20-6-4-3-5-7-20/h3-9,12-13,19,24H,10-11,14-17H2,1-2H3,(H,27,31)
InChIKeyFASFAQVYOYQATJ-UHFFFAOYSA-N
XLogP2.48
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-3-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-1-benzofuran-2-carboxamide
CID 131889598
4-chloro-1-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)pyrrole-2-carboxamide
CID 131912899
5-methoxy-1-methyl-N-phenylindole-2-carboxamide
CID 10707870
2-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)-1-benzofuran-5-carboxamide
CID 131939239
3-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)thiophene-2-carboxamide
CID 91835034
2-phenoxy-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide
CID 131946938
5-methoxy-1-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]indole-2-carboxamide
CID 56721773
5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide
CID 70744157
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone
CID 126449791
N-[(1R,2R)-2-acetamido-2,3-dihydro-1H-inden-1-yl]-5-methoxy-1-methylindole-2-carboxamide
CID 70717237
2-[4-(hydroxymethyl)phenyl]-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)acetamide
CID 131923030
2-methoxy-5-[[(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)amino]methyl]benzoic acid
CID 131907966

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)indole-2-carboxamide?
The IUPAC name of 5-methoxy-1-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)indole-2-carboxamide (CID 131898552) is 5-methoxy-1-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-1-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)indole-2-carboxamide?
The canonical SMILES for 5-methoxy-1-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)indole-2-carboxamide is COc1ccc2c(c1)cc(C(=O)NC1C3CN4CCN(C3)CC1(c1ccccc1)C4)n2C.
What is the InChIKey of 5-methoxy-1-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)indole-2-carboxamide?
The InChIKey is FASFAQVYOYQATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-28-22-9-8-21(32-2)12-18(22)13-23(28)25(31)27-24-19-14-29-10-11-30(15-19)17-26(24,16-29)20-6-4-3-5-7-20/h3-9,12-13,19,24H,10-11,14-17H2,1-2H3,(H,27,31).
What are the key properties of 5-methoxy-1-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)indole-2-carboxamide?
5-methoxy-1-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)indole-2-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-N-(1-phenyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-yl)indole-2-carboxamide is sourced from PubChem (CID 131898552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).