N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide

C18H23N3O — CID 56584263

IUPACN-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide
SMILESO=C(Nc1cccc(-n2cccc2)c1)N1CCCCCCC1
InChIInChI=1S/C18H23N3O/c22-18(21-13-4-2-1-3-5-14-21)19-16-9-8-10-17(15-16)20-11-6-7-12-20/h6-12,15H,1-5,13-14H2,(H,19,22)
InChIKeyDAKMGPBCNHHREH-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.28
Rot. Bonds2

About N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide

N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide (PubChem CID 56584263) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide.

Molecular Properties

Compound NameN-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide
PubChem CID56584263
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide
SMILESO=C(Nc1cccc(-n2cccc2)c1)N1CCCCCCC1
InChIInChI=1S/C18H23N3O/c22-18(21-13-4-2-1-3-5-14-21)19-16-9-8-10-17(15-16)20-11-6-7-12-20/h6-12,15H,1-5,13-14H2,(H,19,22)
InChIKeyDAKMGPBCNHHREH-UHFFFAOYSA-N
XLogP4.28
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide 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

4-pyrrolidin-1-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperidine-1-carboxamide
CID 166180121
4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56505268
4-(4-nitrophenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583638
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583904
2,2-dimethyl-1-oxo-N-(3-pyrrol-1-ylphenyl)-1,4-thiazinane-4-carboxamide
CID 91659534
N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide
CID 79151936
4-pyridin-3-ylsulfonyl-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583931
3-[3-(azepane-1-carbonylamino)phenyl]propanoic acid
CID 115339440
methyl (3S,4R)-3-methyl-1-[(3-pyrrol-1-ylphenyl)carbamoyl]piperidine-4-carboxylate
CID 100691228
N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 112725657
N-[3-(1-hydroxyethyl)phenyl]piperidine-1-carboxamide
CID 61348004

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide?
The IUPAC name of N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide (CID 56584263) is N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide.
What is the SMILES notation for N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide?
The canonical SMILES for N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide is O=C(Nc1cccc(-n2cccc2)c1)N1CCCCCCC1.
What is the InChIKey of N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide?
The InChIKey is DAKMGPBCNHHREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c22-18(21-13-4-2-1-3-5-14-21)19-16-9-8-10-17(15-16)20-11-6-7-12-20/h6-12,15H,1-5,13-14H2,(H,19,22).
What are the key properties of N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide?
N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide is sourced from PubChem (CID 56584263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).