1-(2-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide

C26H25N5O2 — CID 6172640

IUPAC1-(2-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCCOc1ccccc1-c1nc(C(=O)NCCCn2ccnc2)cc2c1[nH]c1ccccc12
InChIInChI=1S/C26H25N5O2/c1-2-33-23-11-6-4-9-19(23)24-25-20(18-8-3-5-10-21(18)29-25)16-22(30-24)26(32)28-12-7-14-31-15-13-27-17-31/h3-6,8-11,13,15-17,29H,2,7,12,14H2,1H3,(H,28,32)
InChIKeyVKIUOKHYPPOXEJ-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.80
Rot. Bonds8

About 1-(2-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide

1-(2-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 6172640) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID6172640
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name1-(2-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCCOc1ccccc1-c1nc(C(=O)NCCCn2ccnc2)cc2c1[nH]c1ccccc12
InChIInChI=1S/C26H25N5O2/c1-2-33-23-11-6-4-9-19(23)24-25-20(18-8-3-5-10-21(18)29-25)16-22(30-24)26(32)28-12-7-14-31-15-13-27-17-31/h3-6,8-11,13,15-17,29H,2,7,12,14H2,1H3,(H,28,32)
InChIKeyVKIUOKHYPPOXEJ-UHFFFAOYSA-N
XLogP4.80
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.80
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

N-(3-imidazol-1-ylpropyl)-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6314230
1-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6139376
2,4-diethoxy-N-(3-imidazol-1-ylpropyl)benzamide
CID 6464359
N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474998
1-(2-ethoxyphenyl)-3-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]thiourea
CID 177377918
N-(3-imidazol-1-ylpropyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135654270
3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide
CID 51155753
N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride
CID 169442420
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
N-(3-imidazol-1-ylpropyl)-4-oxo-3-pentylphthalazine-1-carboxamide
CID 9460938
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 104640721

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 1-(2-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide (CID 6172640) is 1-(2-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide is CCOc1ccccc1-c1nc(C(=O)NCCCn2ccnc2)cc2c1[nH]c1ccccc12.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is VKIUOKHYPPOXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-2-33-23-11-6-4-9-19(23)24-25-20(18-8-3-5-10-21(18)29-25)16-22(30-24)26(32)28-12-7-14-31-15-13-27-17-31/h3-6,8-11,13,15-17,29H,2,7,12,14H2,1H3,(H,28,32).
What are the key properties of 1-(2-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
1-(2-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 6172640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).