N-[4-(4-methoxyanilino)-9H-pyrido[2,3-b]indol-7-yl]acetamide

C20H18N4O2 — CID 169079774

IUPACN-[4-(4-methoxyanilino)-9H-pyrido[2,3-b]indol-7-yl]acetamide
SMILESCOc1ccc(Nc2ccnc3[nH]c4cc(NC(C)=O)ccc4c23)cc1
InChIInChI=1S/C20H18N4O2/c1-12(25)22-14-5-8-16-18(11-14)24-20-19(16)17(9-10-21-20)23-13-3-6-15(26-2)7-4-13/h3-11H,1-2H3,(H,22,25)(H2,21,23,24)
InChIKeyFZLCYKDCZTUDKQ-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.43
Rot. Bonds4

About N-[4-(4-methoxyanilino)-9H-pyrido[2,3-b]indol-7-yl]acetamide

N-[4-(4-methoxyanilino)-9H-pyrido[2,3-b]indol-7-yl]acetamide (PubChem CID 169079774) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[4-(4-methoxyanilino)-9H-pyrido[2,3-b]indol-7-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyanilino)-9H-pyrido[2,3-b]indol-7-yl]acetamide
PubChem CID169079774
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[4-(4-methoxyanilino)-9H-pyrido[2,3-b]indol-7-yl]acetamide
SMILESCOc1ccc(Nc2ccnc3[nH]c4cc(NC(C)=O)ccc4c23)cc1
InChIInChI=1S/C20H18N4O2/c1-12(25)22-14-5-8-16-18(11-14)24-20-19(16)17(9-10-21-20)23-13-3-6-15(26-2)7-4-13/h3-11H,1-2H3,(H,22,25)(H2,21,23,24)
InChIKeyFZLCYKDCZTUDKQ-UHFFFAOYSA-N
XLogP4.43
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid
CID 169079762
6-acetamido-4-(4-methoxyanilino)-1H-indole-2-carboxylic acid
CID 162659106
N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866239
methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate
CID 58168157
N-[4-[[4-[(6,7-dimethoxyquinolin-4-yl)amino]phenoxy]methyl]phenyl]acetamide
CID 44532199
N-[4-[(8,9-dimethoxy-6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)amino]phenyl]benzamide;N-[4-[(6-oxo-5H-benzo[c][1,8]naphthyridin-1-yl)oxy]phenyl]benzamide
CID 172703911
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
2-(3-acetamidoanilino)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109178041
2-(4-methoxyanilino)-N-(4-methyl-2-pyridinyl)benzamide
CID 52612517
N-[4-(4-acetamidoanilino)phenyl]-4-methoxybenzamide
CID 112988363
4-N-(4-methoxyphenyl)pyridine-3,4-diamine
CID 13287152
2,5-bis(4-methoxyanilino)terephthalic acid
CID 3084837

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyanilino)-9H-pyrido[2,3-b]indol-7-yl]acetamide?
The IUPAC name of N-[4-(4-methoxyanilino)-9H-pyrido[2,3-b]indol-7-yl]acetamide (CID 169079774) is N-[4-(4-methoxyanilino)-9H-pyrido[2,3-b]indol-7-yl]acetamide.
What is the SMILES notation for N-[4-(4-methoxyanilino)-9H-pyrido[2,3-b]indol-7-yl]acetamide?
The canonical SMILES for N-[4-(4-methoxyanilino)-9H-pyrido[2,3-b]indol-7-yl]acetamide is COc1ccc(Nc2ccnc3[nH]c4cc(NC(C)=O)ccc4c23)cc1.
What is the InChIKey of N-[4-(4-methoxyanilino)-9H-pyrido[2,3-b]indol-7-yl]acetamide?
The InChIKey is FZLCYKDCZTUDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-12(25)22-14-5-8-16-18(11-14)24-20-19(16)17(9-10-21-20)23-13-3-6-15(26-2)7-4-13/h3-11H,1-2H3,(H,22,25)(H2,21,23,24).
What are the key properties of N-[4-(4-methoxyanilino)-9H-pyrido[2,3-b]indol-7-yl]acetamide?
N-[4-(4-methoxyanilino)-9H-pyrido[2,3-b]indol-7-yl]acetamide has a molecular weight of 346.39 g/mol, XLogP of 4.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyanilino)-9H-pyrido[2,3-b]indol-7-yl]acetamide is sourced from PubChem (CID 169079774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).