4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid

C20H16N4O3 — CID 169079762

IUPAC4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid
SMILESCC(=O)Nc1ccc2c(c1)[nH]c1nccc(Nc3ccc(C(=O)O)cc3)c12
InChIInChI=1S/C20H16N4O3/c1-11(25)22-14-6-7-15-17(10-14)24-19-18(15)16(8-9-21-19)23-13-4-2-12(3-5-13)20(26)27/h2-10H,1H3,(H,22,25)(H,26,27)(H2,21,23,24)
InChIKeyPKIFDCPCWAXACT-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.12
Rot. Bonds4

About 4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid

4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid (PubChem CID 169079762) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is 4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid
PubChem CID169079762
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid
SMILESCC(=O)Nc1ccc2c(c1)[nH]c1nccc(Nc3ccc(C(=O)O)cc3)c12
InChIInChI=1S/C20H16N4O3/c1-11(25)22-14-6-7-15-17(10-14)24-19-18(15)16(8-9-21-19)23-13-4-2-12(3-5-13)20(26)27/h2-10H,1H3,(H,22,25)(H,26,27)(H2,21,23,24)
InChIKeyPKIFDCPCWAXACT-UHFFFAOYSA-N
XLogP4.12
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid with MolForge

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Related Compounds

N-[4-(4-methoxyanilino)-9H-pyrido[2,3-b]indol-7-yl]acetamide
CID 169079774
4-(4-acetamidoanilino)benzoic acid
CID 11425691
methyl 1-(4-benzamidoanilino)-6-oxo-5H-benzo[c][1,8]naphthyridine-9-carboxylate
CID 58168157
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
4-[(7-ethoxyquinolin-4-yl)amino]benzoic acid
CID 66487281
6-acetamido-4-(4-methoxyanilino)-1H-indole-2-carboxylic acid
CID 162659106
4-[(7-chloro-8-methylquinolin-4-yl)amino]benzoic acid
CID 53269521
4-[4-[(7-chloroquinolin-4-yl)amino]phenyl]benzoic acid
CID 24757093
1-anilino-9-(trifluoromethyl)-5H-benzo[c][1,8]naphthyridin-6-one
CID 141243236
N-(2,3-dimethyl-11H-indolo[3,2-c]quinolin-9-yl)acetamide
CID 158854690
1-chloro-6-oxo-5H-benzo[c][1,8]naphthyridine-8-carboxylic acid
CID 123921843
1-[4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]ethanone
CID 135550759

Frequently Asked Questions

What is the IUPAC name of 4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid?
The IUPAC name of 4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid (CID 169079762) is 4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid?
The canonical SMILES for 4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid is CC(=O)Nc1ccc2c(c1)[nH]c1nccc(Nc3ccc(C(=O)O)cc3)c12.
What is the InChIKey of 4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid?
The InChIKey is PKIFDCPCWAXACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-11(25)22-14-6-7-15-17(10-14)24-19-18(15)16(8-9-21-19)23-13-4-2-12(3-5-13)20(26)27/h2-10H,1H3,(H,22,25)(H,26,27)(H2,21,23,24).
What are the key properties of 4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid?
4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid has a molecular weight of 360.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-acetamido-9H-pyrido[2,3-b]indol-4-yl)amino]benzoic acid is sourced from PubChem (CID 169079762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).