N-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide

C27H26N4O2 — CID 86729719

IUPACN-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3cccc(C#N)c3)ccc21
InChIInChI=1S/C27H26N4O2/c1-3-31-24-10-5-4-9-22(24)23-16-21(11-12-25(23)31)30-27(33)14-18(2)13-26(32)29-20-8-6-7-19(15-20)17-28/h4-12,15-16,18H,3,13-14H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyUWPXJESMESKRED-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.68
Rot. Bonds7

About N-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide

N-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide (PubChem CID 86729719) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide
PubChem CID86729719
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC NameN-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide
SMILESCCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3cccc(C#N)c3)ccc21
InChIInChI=1S/C27H26N4O2/c1-3-31-24-10-5-4-9-22(24)23-16-21(11-12-25(23)31)30-27(33)14-18(2)13-26(32)29-20-8-6-7-19(15-20)17-28/h4-12,15-16,18H,3,13-14H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyUWPXJESMESKRED-UHFFFAOYSA-N
XLogP5.68
TPSA86.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-cyanoanilino)-3-methyl-5-oxopentanoyl]-(9-ethylcarbazol-3-yl)-dimethylazanium
CID 90300539
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
CID 90300485
N-benzyl-N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide
CID 90300497
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate
CID 74655425
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide
CID 90300464
N-(9-ethylcarbazol-3-yl)-N'-(2-methoxyethyl)-3-methylpentanediamide
CID 5018445
6-[4-cyano-3-(trifluoromethyl)phenyl]-N-(9-ethylcarbazol-3-yl)-3-methyl-5-oxohexanamide
CID 159935099
2-[4-(4-cyanophenyl)phenoxy]-N-(9-ethylcarbazol-3-yl)acetamide
CID 3473107
N-(9-ethylcarbazol-3-yl)-3-methyl-N'-[(5-methylfuran-2-yl)methyl]pentanediamide
CID 4269823
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
4-amino-N-(9-ethylcarbazol-3-yl)pentanamide
CID 120558708
N-(9-ethylcarbazol-3-yl)-3-methyl-5-oxo-5-[2-(pyridine-3-carbonyl)hydrazinyl]pentanamide
CID 4274519

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide?
The IUPAC name of N-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide (CID 86729719) is N-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide.
What is the SMILES notation for N-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide?
The canonical SMILES for N-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide is CCn1c2ccccc2c2cc(NC(=O)CC(C)CC(=O)Nc3cccc(C#N)c3)ccc21.
What is the InChIKey of N-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide?
The InChIKey is UWPXJESMESKRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-3-31-24-10-5-4-9-22(24)23-16-21(11-12-25(23)31)30-27(33)14-18(2)13-26(32)29-20-8-6-7-19(15-20)17-28/h4-12,15-16,18H,3,13-14H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of N-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide?
N-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide has a molecular weight of 438.53 g/mol, XLogP of 5.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide is sourced from PubChem (CID 86729719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).