4-[2-(4-aminopentyl)-9H-pyrido[2,3-b]indol-6-yl]-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide

C28H32N4O3 — CID 68761863

IUPAC4-[2-(4-aminopentyl)-9H-pyrido[2,3-b]indol-6-yl]-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide
SMILESCOc1ccc(CNC(=O)CCC(=O)c2ccc3[nH]c4nc(CCCC(C)N)ccc4c3c2)cc1
InChIInChI=1S/C28H32N4O3/c1-18(29)4-3-5-21-9-12-23-24-16-20(8-13-25(24)32-28(23)31-21)26(33)14-15-27(34)30-17-19-6-10-22(35-2)11-7-19/h6-13,16,18H,3-5,14-15,17,29H2,1-2H3,(H,30,34)(H,31,32)
InChIKeySZTSBSWSCKYLEG-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.67
Rot. Bonds11

About 4-[2-(4-aminopentyl)-9H-pyrido[2,3-b]indol-6-yl]-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide

4-[2-(4-aminopentyl)-9H-pyrido[2,3-b]indol-6-yl]-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide (PubChem CID 68761863) has the molecular formula C28H32N4O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is 4-[2-(4-aminopentyl)-9H-pyrido[2,3-b]indol-6-yl]-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-[2-(4-aminopentyl)-9H-pyrido[2,3-b]indol-6-yl]-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide
PubChem CID68761863
Molecular FormulaC28H32N4O3
Molecular Weight472.59 g/mol
Exact Mass472.25
IUPAC Name4-[2-(4-aminopentyl)-9H-pyrido[2,3-b]indol-6-yl]-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide
SMILESCOc1ccc(CNC(=O)CCC(=O)c2ccc3[nH]c4nc(CCCC(C)N)ccc4c3c2)cc1
InChIInChI=1S/C28H32N4O3/c1-18(29)4-3-5-21-9-12-23-24-16-20(8-13-25(24)32-28(23)31-21)26(33)14-15-27(34)30-17-19-6-10-22(35-2)11-7-19/h6-13,16,18H,3-5,14-15,17,29H2,1-2H3,(H,30,34)(H,31,32)
InChIKeySZTSBSWSCKYLEG-UHFFFAOYSA-N
XLogP4.67
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[2-(4-aminopentyl)-9H-pyrido[2,3-b]indol-6-yl]-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide with MolForge

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Related Compounds

4-[3-(1-aminopentyl)-9H-pyrido[2,3-b]indol-6-yl]-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide
CID 68763380
4-(4-hept-1-enyl-9H-pyrido[2,3-b]indol-6-yl)-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide
CID 66766287
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 26695901
4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
CID 20969140
N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119496713
5-[6-[4-(morpholin-4-ylmethyl)phenyl]-9H-pyrido[2,3-b]indol-2-yl]pentan-2-amine
CID 66766090
6-(4-methoxyphenyl)-2-pentyl-9H-pyrido[2,3-b]indole
CID 68762162
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
4-amino-N-[3-(4-methoxyphenyl)propyl]pentanamide
CID 120560980
5-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-5-oxopentanamide
CID 110298184
N-(3-aminobutyl)-6-(4-methoxyphenyl)hexanamide;hydrochloride
CID 119496458
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminopentyl)-9H-pyrido[2,3-b]indol-6-yl]-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide?
The IUPAC name of 4-[2-(4-aminopentyl)-9H-pyrido[2,3-b]indol-6-yl]-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide (CID 68761863) is 4-[2-(4-aminopentyl)-9H-pyrido[2,3-b]indol-6-yl]-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide.
What is the SMILES notation for 4-[2-(4-aminopentyl)-9H-pyrido[2,3-b]indol-6-yl]-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide?
The canonical SMILES for 4-[2-(4-aminopentyl)-9H-pyrido[2,3-b]indol-6-yl]-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide is COc1ccc(CNC(=O)CCC(=O)c2ccc3[nH]c4nc(CCCC(C)N)ccc4c3c2)cc1.
What is the InChIKey of 4-[2-(4-aminopentyl)-9H-pyrido[2,3-b]indol-6-yl]-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide?
The InChIKey is SZTSBSWSCKYLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3/c1-18(29)4-3-5-21-9-12-23-24-16-20(8-13-25(24)32-28(23)31-21)26(33)14-15-27(34)30-17-19-6-10-22(35-2)11-7-19/h6-13,16,18H,3-5,14-15,17,29H2,1-2H3,(H,30,34)(H,31,32).
What are the key properties of 4-[2-(4-aminopentyl)-9H-pyrido[2,3-b]indol-6-yl]-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide?
4-[2-(4-aminopentyl)-9H-pyrido[2,3-b]indol-6-yl]-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide has a molecular weight of 472.59 g/mol, XLogP of 4.67, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminopentyl)-9H-pyrido[2,3-b]indol-6-yl]-N-[(4-methoxyphenyl)methyl]-4-oxobutanamide is sourced from PubChem (CID 68761863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).