N-(4-aminocyclohexyl)-4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxamide

C22H28N4O3 — CID 155312654

IUPACN-(4-aminocyclohexyl)-4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCCc1c(C(=O)NC2CCC(N)CC2)ncc2[nH]c3cc(OC)c(OC)cc3c12
InChIInChI=1S/C22H28N4O3/c1-4-14-20-15-9-18(28-2)19(29-3)10-16(15)26-17(20)11-24-21(14)22(27)25-13-7-5-12(23)6-8-13/h9-13,26H,4-8,23H2,1-3H3,(H,25,27)
InChIKeyCOVWBRVXOUNBPY-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.30
Rot. Bonds5

About N-(4-aminocyclohexyl)-4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxamide

N-(4-aminocyclohexyl)-4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 155312654) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID155312654
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-(4-aminocyclohexyl)-4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCCc1c(C(=O)NC2CCC(N)CC2)ncc2[nH]c3cc(OC)c(OC)cc3c12
InChIInChI=1S/C22H28N4O3/c1-4-14-20-15-9-18(28-2)19(29-3)10-16(15)26-17(20)11-24-21(14)22(27)25-13-7-5-12(23)6-8-13/h9-13,26H,4-8,23H2,1-3H3,(H,25,27)
InChIKeyCOVWBRVXOUNBPY-UHFFFAOYSA-N
XLogP3.30
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminocyclohexyl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119475170
N-(4-aminocyclohexyl)-4-bromo-3,5-dimethoxybenzamide;hydrochloride
CID 119474386
N-cyclopropyl-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206859
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119477661
N-cycloheptyl-2-(3,4-dimethoxyphenyl)-3-ethyl-1H-indole-5-carboxamide
CID 150682988
N-(4-aminocyclohexyl)-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide
CID 119476234
N-(4-aminocyclohexyl)-2-propyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119479154
N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride
CID 119478225
N-ethyl-6-(2-(18F)fluoroethoxy)-4-(methoxymethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 25156743
N-(4-aminocyclohexyl)-2-(2-chloro-6-methoxyphenyl)pyrimidine-5-carboxamide
CID 167865436
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxamide (CID 155312654) is N-(4-aminocyclohexyl)-4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxamide is CCc1c(C(=O)NC2CCC(N)CC2)ncc2[nH]c3cc(OC)c(OC)cc3c12.
What is the InChIKey of N-(4-aminocyclohexyl)-4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is COVWBRVXOUNBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-4-14-20-15-9-18(28-2)19(29-3)10-16(15)26-17(20)11-24-21(14)22(27)25-13-7-5-12(23)6-8-13/h9-13,26H,4-8,23H2,1-3H3,(H,25,27).
What are the key properties of N-(4-aminocyclohexyl)-4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxamide?
N-(4-aminocyclohexyl)-4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 155312654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).