N-(3-imidazol-1-ylpropyl)-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide

C25H23N5O2 — CID 6314230

IUPACN-(3-imidazol-1-ylpropyl)-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NCCCn3ccnc3)cc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C25H23N5O2/c1-32-18-7-4-6-17(14-18)23-24-20(19-8-2-3-9-21(19)28-24)15-22(29-23)25(31)27-10-5-12-30-13-11-26-16-30/h2-4,6-9,11,13-16,28H,5,10,12H2,1H3,(H,27,31)
InChIKeyNYJLQOCWGWWQNM-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.41
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide

N-(3-imidazol-1-ylpropyl)-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 6314230) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID6314230
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-(3-imidazol-1-ylpropyl)-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NCCCn3ccnc3)cc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C25H23N5O2/c1-32-18-7-4-6-17(14-18)23-24-20(19-8-2-3-9-21(19)28-24)15-22(29-23)25(31)27-10-5-12-30-13-11-26-16-30/h2-4,6-9,11,13-16,28H,5,10,12H2,1H3,(H,27,31)
InChIKeyNYJLQOCWGWWQNM-UHFFFAOYSA-N
XLogP4.41
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6172640
1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 71528865
N-cyclohexyl-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6279501
5-amino-2-[[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]-5-oxopentanoic acid
CID 6235704
N-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone
CID 158330800
2-[[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 6235846
1-(3-imidazol-1-ylpropyl)-3-[6-(3-methoxyphenyl)-1H-indazol-3-yl]urea
CID 69062294
3-(3,5-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-2-phenylquinoxaline-6-carboxamide
CID 118463545
N-(3-imidazol-1-ylpropyl)-4-methoxybenzamide;hydrochloride
CID 6603491
N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenoxy)butanamide
CID 43904679
N-(2-aminoethyl)-1-(4-chlorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 153312546
(E)-N-(3-imidazol-1-ylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 27397163

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide (CID 6314230) is N-(3-imidazol-1-ylpropyl)-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide is COc1cccc(-c2nc(C(=O)NCCCn3ccnc3)cc3c2[nH]c2ccccc23)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is NYJLQOCWGWWQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-32-18-7-4-6-17(14-18)23-24-20(19-8-2-3-9-21(19)28-24)15-22(29-23)25(31)27-10-5-12-30-13-11-26-16-30/h2-4,6-9,11,13-16,28H,5,10,12H2,1H3,(H,27,31).
What are the key properties of N-(3-imidazol-1-ylpropyl)-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
N-(3-imidazol-1-ylpropyl)-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 6314230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).