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

C25H25N3O2 — CID 6279501

IUPACN-cyclohexyl-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NC3CCCCC3)cc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C25H25N3O2/c1-30-18-11-7-8-16(14-18)23-24-20(19-12-5-6-13-21(19)27-24)15-22(28-23)25(29)26-17-9-3-2-4-10-17/h5-8,11-15,17,27H,2-4,9-10H2,1H3,(H,26,29)
InChIKeyYAGPZBHAHYLOES-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.45
Rot. Bonds4

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

N-cyclohexyl-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 6279501) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-cyclohexyl-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID6279501
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-cyclohexyl-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCOc1cccc(-c2nc(C(=O)NC3CCCCC3)cc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C25H25N3O2/c1-30-18-11-7-8-16(14-18)23-24-20(19-12-5-6-13-21(19)27-24)15-22(28-23)25(29)26-17-9-3-2-4-10-17/h5-8,11-15,17,27H,2-4,9-10H2,1H3,(H,26,29)
InChIKeyYAGPZBHAHYLOES-UHFFFAOYSA-N
XLogP5.45
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide (CID 6279501) is N-cyclohexyl-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide is COc1cccc(-c2nc(C(=O)NC3CCCCC3)cc3c2[nH]c2ccccc23)c1.
What is the InChIKey of N-cyclohexyl-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is YAGPZBHAHYLOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-30-18-11-7-8-16(14-18)23-24-20(19-12-5-6-13-21(19)27-24)15-22(28-23)25(29)26-17-9-3-2-4-10-17/h5-8,11-15,17,27H,2-4,9-10H2,1H3,(H,26,29).
What are the key properties of N-cyclohexyl-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
N-cyclohexyl-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 6279501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).