N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide

C32H25N3O — CID 66766352

IUPACN-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide
SMILESO=C(NCCc1ccc2[nH]c3nc(-c4ccccc4-c4ccccc4)ccc3c2c1)c1ccccc1
InChIInChI=1S/C32H25N3O/c36-32(24-11-5-2-6-12-24)33-20-19-22-15-17-30-28(21-22)27-16-18-29(34-31(27)35-30)26-14-8-7-13-25(26)23-9-3-1-4-10-23/h1-18,21H,19-20H2,(H,33,36)(H,34,35)
InChIKeyQGOJHNPDIBPMHW-UHFFFAOYSA-N
MW467.57 g/mol
LogP7.02
Rot. Bonds6

About N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide

N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide (PubChem CID 66766352) has the molecular formula C32H25N3O and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide
PubChem CID66766352
Molecular FormulaC32H25N3O
Molecular Weight467.57 g/mol
Exact Mass467.20
IUPAC NameN-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide
SMILESO=C(NCCc1ccc2[nH]c3nc(-c4ccccc4-c4ccccc4)ccc3c2c1)c1ccccc1
InChIInChI=1S/C32H25N3O/c36-32(24-11-5-2-6-12-24)33-20-19-22-15-17-30-28(21-22)27-16-18-29(34-31(27)35-30)26-14-8-7-13-25(26)23-9-3-1-4-10-23/h1-18,21H,19-20H2,(H,33,36)(H,34,35)
InChIKeyQGOJHNPDIBPMHW-UHFFFAOYSA-N
XLogP7.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide
CID 66766243
2-amino-N-[2-[2-(3-nitrophenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide
CID 173108699
2-[4-[2-(3-cyano-1H-indol-5-yl)ethylcarbamoyl]phenyl]benzoic acid
CID 70025907
N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 4142764
3-[4-[2-(3-cyano-1H-indol-5-yl)ethylcarbamoyl]phenyl]benzoic acid
CID 70025457
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-[2-[4-(2-benzamidoethyl)-3-nitrophenyl]ethyl]benzamide
CID 2750273
4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 110791167
2-amino-3-[4-[2-(2-phenylphenyl)ethylcarbamoyl]phenyl]propanoic acid
CID 121454810
N-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]benzamide
CID 113086186
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
N-[2-(3-bromophenyl)ethyl]benzamide
CID 90847047

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide?
The IUPAC name of N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide (CID 66766352) is N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide is O=C(NCCc1ccc2[nH]c3nc(-c4ccccc4-c4ccccc4)ccc3c2c1)c1ccccc1.
What is the InChIKey of N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide?
The InChIKey is QGOJHNPDIBPMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O/c36-32(24-11-5-2-6-12-24)33-20-19-22-15-17-30-28(21-22)27-16-18-29(34-31(27)35-30)26-14-8-7-13-25(26)23-9-3-1-4-10-23/h1-18,21H,19-20H2,(H,33,36)(H,34,35).
What are the key properties of N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide?
N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide has a molecular weight of 467.57 g/mol, XLogP of 7.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide is sourced from PubChem (CID 66766352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).