N-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide

C23H34N4O2 — CID 168931076

IUPACN-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide
SMILESCOc1ccc2c(CCN(C)C)cn(C(=O)NC3CCC(N4CCC4)CC3)c2c1
InChIInChI=1S/C23H34N4O2/c1-25(2)14-11-17-16-27(22-15-20(29-3)9-10-21(17)22)23(28)24-18-5-7-19(8-6-18)26-12-4-13-26/h9-10,15-16,18-19H,4-8,11-14H2,1-3H3,(H,24,28)
InChIKeyVIZKMJKMAVSQQX-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.33
Rot. Bonds6

About N-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide

N-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide (PubChem CID 168931076) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide.

Molecular Properties

Compound NameN-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide
PubChem CID168931076
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC NameN-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide
SMILESCOc1ccc2c(CCN(C)C)cn(C(=O)NC3CCC(N4CCC4)CC3)c2c1
InChIInChI=1S/C23H34N4O2/c1-25(2)14-11-17-16-27(22-15-20(29-3)9-10-21(17)22)23(28)24-18-5-7-19(8-6-18)26-12-4-13-26/h9-10,15-16,18-19H,4-8,11-14H2,1-3H3,(H,24,28)
InChIKeyVIZKMJKMAVSQQX-UHFFFAOYSA-N
XLogP3.33
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide with MolForge

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Related Compounds

[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 168931025
3-[2-(dimethylamino)ethyl]-6-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-1-carboxamide
CID 168930901
3-[2-(dimethylamino)ethyl]-N-[4-(methylamino)cyclohexyl]indole-1-carboxamide
CID 166467769
2-methoxyethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931038
N-[2-(azetidin-1-yl)ethyl]-3-[2-(dimethylamino)ethyl]-5-methoxyindole-1-carboxamide
CID 166467250
methoxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930845
4-[3-[2-(dimethylamino)ethyl]-6-methoxyindol-1-yl]-2,2-dimethyl-4-oxobutanoic acid
CID 168930906
2-methylpropanoyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931011
bis[3-[2-(dimethylamino)ethyl]-5-methoxyindol-1-yl]methanone
CID 166467355
thietane-3-carbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168931136
oxan-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930953
thian-4-yloxycarbonyloxymethyl 3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxylate
CID 168930954

Frequently Asked Questions

What is the IUPAC name of N-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide?
The IUPAC name of N-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide (CID 168931076) is N-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide.
What is the SMILES notation for N-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide?
The canonical SMILES for N-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide is COc1ccc2c(CCN(C)C)cn(C(=O)NC3CCC(N4CCC4)CC3)c2c1.
What is the InChIKey of N-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide?
The InChIKey is VIZKMJKMAVSQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-25(2)14-11-17-16-27(22-15-20(29-3)9-10-21(17)22)23(28)24-18-5-7-19(8-6-18)26-12-4-13-26/h9-10,15-16,18-19H,4-8,11-14H2,1-3H3,(H,24,28).
What are the key properties of N-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide?
N-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azetidin-1-yl)cyclohexyl]-3-[2-(dimethylamino)ethyl]-6-methoxyindole-1-carboxamide is sourced from PubChem (CID 168931076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).