N-(2-amino-5-phenylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C25H23N3O — CID 59737260

IUPACN-(2-amino-5-phenylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C25H23N3O/c26-21-12-10-17(16-6-2-1-3-7-16)15-24(21)28-25(29)18-11-13-23-20(14-18)19-8-4-5-9-22(19)27-23/h1-3,6-7,10-15,27H,4-5,8-9,26H2,(H,28,29)
InChIKeyFWEKCSNCZVRXFU-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.55
Rot. Bonds3

About N-(2-amino-5-phenylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-(2-amino-5-phenylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 59737260) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID59737260
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC NameN-(2-amino-5-phenylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C25H23N3O/c26-21-12-10-17(16-6-2-1-3-7-16)15-24(21)28-25(29)18-11-13-23-20(14-18)19-8-4-5-9-22(19)27-23/h1-3,6-7,10-15,27H,4-5,8-9,26H2,(H,28,29)
InChIKeyFWEKCSNCZVRXFU-UHFFFAOYSA-N
XLogP5.55
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,2,2-trifluoroethylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 47076267
N-(3-acetamidophenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27258967
N-(2-amino-5-phenylphenyl)-4-propan-2-ylbenzamide
CID 126707746
N-(4-methyl-3-sulfamoylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 46809541
N-(2-amino-5-phenylphenyl)-4-[(3-methylbutanoylamino)methyl]benzamide
CID 25156531
N-(2,4-dimethoxyphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27252931
2-oxo-2-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)acetic acid
CID 117359601
[4-[(2-amino-5-phenylphenyl)carbamoyl]phenyl]phosphonic acid
CID 69002653
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 55979033
N-[2-(dimethylamino)-2-phenylethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 3953863
N-(2-amino-5-phenylphenyl)-4-(5-methyl-3-oxohexyl)benzamide
CID 59627338
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 59737260) is N-(2-amino-5-phenylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is FWEKCSNCZVRXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c26-21-12-10-17(16-6-2-1-3-7-16)15-24(21)28-25(29)18-11-13-23-20(14-18)19-8-4-5-9-22(19)27-23/h1-3,6-7,10-15,27H,4-5,8-9,26H2,(H,28,29).
What are the key properties of N-(2-amino-5-phenylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-(2-amino-5-phenylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 5.55, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 59737260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).