N-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide

C31H30N4O2 — CID 66766243

IUPACN-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide
SMILESO=C(NCCc1ccc2[nH]c3nc(-c4ccc(CN5CCOCC5)cc4)ccc3c2c1)c1ccccc1
InChIInChI=1S/C31H30N4O2/c36-31(25-4-2-1-3-5-25)32-15-14-22-8-12-29-27(20-22)26-11-13-28(33-30(26)34-29)24-9-6-23(7-10-24)21-35-16-18-37-19-17-35/h1-13,20H,14-19,21H2,(H,32,36)(H,33,34)
InChIKeyXQEUGISWEHZWPQ-UHFFFAOYSA-N
MW490.61 g/mol
LogP5.19
Rot. Bonds7

About N-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide

N-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide (PubChem CID 66766243) has the molecular formula C31H30N4O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide
PubChem CID66766243
Molecular FormulaC31H30N4O2
Molecular Weight490.61 g/mol
Exact Mass490.24
IUPAC NameN-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide
SMILESO=C(NCCc1ccc2[nH]c3nc(-c4ccc(CN5CCOCC5)cc4)ccc3c2c1)c1ccccc1
InChIInChI=1S/C31H30N4O2/c36-31(25-4-2-1-3-5-25)32-15-14-22-8-12-29-27(20-22)26-11-13-28(33-30(26)34-29)24-9-6-23(7-10-24)21-35-16-18-37-19-17-35/h1-13,20H,14-19,21H2,(H,32,36)(H,33,34)
InChIKeyXQEUGISWEHZWPQ-UHFFFAOYSA-N
XLogP5.19
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(2-phenylphenyl)-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide
CID 66766352
4-[[4-(2-chloro-9H-pyrido[2,3-b]indol-6-yl)phenyl]methyl]morpholine
CID 87554292
4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
CID 2864244
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772
5-[6-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine
CID 66766090
N-(2-aminoethyl)-4-(morpholin-4-ylmethyl)benzamide
CID 84614014
3-[[2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-1H-indole-5-carbonyl]amino]propane-1-sulfinic acid
CID 174495870
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109045881
N-(3-morpholin-4-ylpropyl)-4-(5-naphthalen-1-yl-1H-pyrazol-3-yl)benzamide
CID 42691502
3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117463545
N-(2-morpholin-4-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 24641089
5-(morpholin-4-ylmethyl)-3-phenylsulfanyl-1H-indole-2-carboxylic acid
CID 142756822

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide?
The IUPAC name of N-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide (CID 66766243) is N-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide is O=C(NCCc1ccc2[nH]c3nc(-c4ccc(CN5CCOCC5)cc4)ccc3c2c1)c1ccccc1.
What is the InChIKey of N-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide?
The InChIKey is XQEUGISWEHZWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O2/c36-31(25-4-2-1-3-5-25)32-15-14-22-8-12-29-27(20-22)26-11-13-28(33-30(26)34-29)24-9-6-23(7-10-24)21-35-16-18-37-19-17-35/h1-13,20H,14-19,21H2,(H,32,36)(H,33,34).
What are the key properties of N-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide?
N-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide has a molecular weight of 490.61 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-6-yl]ethyl]benzamide is sourced from PubChem (CID 66766243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).