N-[4-(2-methyl-1-oxo-3,4-dihydropyrido[4,3-b]indol-5-yl)butyl]acetamide

C18H23N3O2 — CID 118123401

IUPACN-[4-(2-methyl-1-oxo-3,4-dihydropyrido[4,3-b]indol-5-yl)butyl]acetamide
SMILESCC(=O)NCCCCn1c2c(c3ccccc31)C(=O)N(C)CC2
InChIInChI=1S/C18H23N3O2/c1-13(22)19-10-5-6-11-21-15-8-4-3-7-14(15)17-16(21)9-12-20(2)18(17)23/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,19,22)
InChIKeyUPDUOCSIIULEDT-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.19
Rot. Bonds5

About N-[4-(2-methyl-1-oxo-3,4-dihydropyrido[4,3-b]indol-5-yl)butyl]acetamide

N-[4-(2-methyl-1-oxo-3,4-dihydropyrido[4,3-b]indol-5-yl)butyl]acetamide (PubChem CID 118123401) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[4-(2-methyl-1-oxo-3,4-dihydropyrido[4,3-b]indol-5-yl)butyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-methyl-1-oxo-3,4-dihydropyrido[4,3-b]indol-5-yl)butyl]acetamide
PubChem CID118123401
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[4-(2-methyl-1-oxo-3,4-dihydropyrido[4,3-b]indol-5-yl)butyl]acetamide
SMILESCC(=O)NCCCCn1c2c(c3ccccc31)C(=O)N(C)CC2
InChIInChI=1S/C18H23N3O2/c1-13(22)19-10-5-6-11-21-15-8-4-3-7-14(15)17-16(21)9-12-20(2)18(17)23/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,19,22)
InChIKeyUPDUOCSIIULEDT-UHFFFAOYSA-N
XLogP2.19
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)butyl]acetamide
CID 91668531
N-[(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)methyl]acetamide
CID 118548633
tert-butyl N-[2-(1-oxo-3,4-dihydro-2H-pyrido[4,3-b]indol-5-yl)ethyl]carbamate
CID 118548650
6-hydroxy-12-[3-(methylamino)propyl]-4-oxo-3,12-diazatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),5,13,15,17-hexaene-5-carboxylic acid;hydrochloride
CID 121458148
methyl 5-(2-benzoyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)pentanoate
CID 175679386
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]acetamide
CID 39568678
3-[(4-butylpiperazin-1-yl)methyl]-9-(7-hydroxy-6-oxoheptyl)-2,3-dihydro-1H-carbazol-4-one
CID 159747048
N-[3-[3-(1-methylindol-3-yl)-5-(3-oxopiperazin-1-yl)-1,2,4-triazol-4-yl]propyl]acetamide
CID 167874317
1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide
CID 54486483
6-[4-(4-benzylpiperazin-1-yl)butyl]-2,3,4,5-tetrahydroazepino[4,3-b]indol-1-one
CID 177373671
1-ethyl-4-hydroxy-2-oxo-N-(3-piperidin-1-ylpropyl)quinoline-3-carboxamide
CID 54683762
N-[5-(azepan-1-yl)pentyl]acetamide
CID 110441166

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1-oxo-3,4-dihydropyrido[4,3-b]indol-5-yl)butyl]acetamide?
The IUPAC name of N-[4-(2-methyl-1-oxo-3,4-dihydropyrido[4,3-b]indol-5-yl)butyl]acetamide (CID 118123401) is N-[4-(2-methyl-1-oxo-3,4-dihydropyrido[4,3-b]indol-5-yl)butyl]acetamide.
What is the SMILES notation for N-[4-(2-methyl-1-oxo-3,4-dihydropyrido[4,3-b]indol-5-yl)butyl]acetamide?
The canonical SMILES for N-[4-(2-methyl-1-oxo-3,4-dihydropyrido[4,3-b]indol-5-yl)butyl]acetamide is CC(=O)NCCCCn1c2c(c3ccccc31)C(=O)N(C)CC2.
What is the InChIKey of N-[4-(2-methyl-1-oxo-3,4-dihydropyrido[4,3-b]indol-5-yl)butyl]acetamide?
The InChIKey is UPDUOCSIIULEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(22)19-10-5-6-11-21-15-8-4-3-7-14(15)17-16(21)9-12-20(2)18(17)23/h3-4,7-8H,5-6,9-12H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(2-methyl-1-oxo-3,4-dihydropyrido[4,3-b]indol-5-yl)butyl]acetamide?
N-[4-(2-methyl-1-oxo-3,4-dihydropyrido[4,3-b]indol-5-yl)butyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1-oxo-3,4-dihydropyrido[4,3-b]indol-5-yl)butyl]acetamide is sourced from PubChem (CID 118123401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).