N-[4-[3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]phenyl]acetamide

C26H22N4O2 — CID 154632633

IUPACN-[4-[3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2cccc(CNc3cc4c(cn3)[nH]c3ccccc34)c2)cc1
InChIInChI=1S/C26H22N4O2/c1-17(31)29-19-9-11-20(12-10-19)32-21-6-4-5-18(13-21)15-27-26-14-23-22-7-2-3-8-24(22)30-25(23)16-28-26/h2-14,16,30H,15H2,1H3,(H,27,28)(H,29,31)
InChIKeyNLGFQLSIXKHHRZ-UHFFFAOYSA-N
MW422.49 g/mol
LogP6.08
Rot. Bonds6

About N-[4-[3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]phenyl]acetamide

N-[4-[3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]phenyl]acetamide (PubChem CID 154632633) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[4-[3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]phenyl]acetamide
PubChem CID154632633
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC NameN-[4-[3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2cccc(CNc3cc4c(cn3)[nH]c3ccccc34)c2)cc1
InChIInChI=1S/C26H22N4O2/c1-17(31)29-19-9-11-20(12-10-19)32-21-6-4-5-18(13-21)15-27-26-14-23-22-7-2-3-8-24(22)30-25(23)16-28-26/h2-14,16,30H,15H2,1H3,(H,27,28)(H,29,31)
InChIKeyNLGFQLSIXKHHRZ-UHFFFAOYSA-N
XLogP6.08
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 56.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(4-methoxyphenoxy)phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine
CID 154632627
N-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]-9H-pyrido[3,4-b]indol-3-amine
CID 154632632
N-[(4-methoxyphenyl)methyl]-9H-pyrido[3,4-b]indol-3-amine
CID 56683452
tert-butyl N-[2-[4-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]ethyl]carbamate
CID 51041466
4-acetamido-N-[(3-phenoxyphenyl)methyl]benzamide
CID 39022053
N-[4-[3-(pyrrolidin-1-ylmethyl)phenoxy]phenyl]acetamide
CID 56716664
N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide
CID 73253844
2-(4-acetamidophenoxy)-N-(4-phenoxyphenyl)acetamide
CID 2471722
4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 54796749
N-[(3-methylphenyl)methyl]-N'-(4-phenoxyphenyl)oxamide
CID 108984794
phenoxybenzene;N-phenylacetamide
CID 174350344
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 20972638

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]phenyl]acetamide?
The IUPAC name of N-[4-[3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]phenyl]acetamide (CID 154632633) is N-[4-[3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]phenyl]acetamide is CC(=O)Nc1ccc(Oc2cccc(CNc3cc4c(cn3)[nH]c3ccccc34)c2)cc1.
What is the InChIKey of N-[4-[3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]phenyl]acetamide?
The InChIKey is NLGFQLSIXKHHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-17(31)29-19-9-11-20(12-10-19)32-21-6-4-5-18(13-21)15-27-26-14-23-22-7-2-3-8-24(22)30-25(23)16-28-26/h2-14,16,30H,15H2,1H3,(H,27,28)(H,29,31).
What are the key properties of N-[4-[3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]phenyl]acetamide?
N-[4-[3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]phenyl]acetamide has a molecular weight of 422.49 g/mol, XLogP of 6.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(9H-pyrido[3,4-b]indol-3-ylamino)methyl]phenoxy]phenyl]acetamide is sourced from PubChem (CID 154632633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).