N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C26H25N3O2 — CID 46477911

IUPACN-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C26H25N3O2/c30-26(23-12-6-11-22-21-10-1-2-13-24(21)29-25(22)23)28-16-18-7-5-9-20(15-18)31-17-19-8-3-4-14-27-19/h3-9,11-12,14-15,29H,1-2,10,13,16-17H2,(H,28,30)
InChIKeyGZLUWFKTDMRHAG-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.95
Rot. Bonds6

About N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 46477911) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID46477911
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC NameN-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)c1cccc2c3c([nH]c12)CCCC3
InChIInChI=1S/C26H25N3O2/c30-26(23-12-6-11-22-21-10-1-2-13-24(21)29-25(22)23)28-16-18-7-5-9-20(15-18)31-17-19-8-3-4-14-27-19/h3-9,11-12,14-15,29H,1-2,10,13,16-17H2,(H,28,30)
InChIKeyGZLUWFKTDMRHAG-UHFFFAOYSA-N
XLogP4.95
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-[3-(pyridin-2-ylmethoxy)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 33498777
2-[(4-fluorophenyl)sulfonylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 46477862
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709365
2-methoxy-5-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709278
4-pyrazol-1-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 46470263
N-[[3-(2-methylbutanoylamino)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55868770
5-(methoxymethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 78875904
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467325
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 46470158
5-chloro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 46470172
2-(dimethylamino)-5-nitro-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55785970

Frequently Asked Questions

What is the IUPAC name of N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 46477911) is N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is O=C(NCc1cccc(OCc2ccccn2)c1)c1cccc2c3c([nH]c12)CCCC3.
What is the InChIKey of N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is GZLUWFKTDMRHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c30-26(23-12-6-11-22-21-10-1-2-13-24(21)29-25(22)23)28-16-18-7-5-9-20(15-18)31-17-19-8-3-4-14-27-19/h3-9,11-12,14-15,29H,1-2,10,13,16-17H2,(H,28,30).
What are the key properties of N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 46477911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).