1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide

C19H15N3O2 — CID 71528865

IUPAC1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCOc1cccc(-c2nc(C(N)=O)cc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C19H15N3O2/c1-24-12-6-4-5-11(9-12)17-18-14(10-16(22-17)19(20)23)13-7-2-3-8-15(13)21-18/h2-10,21H,1H3,(H2,20,23)
InChIKeyDWSKGTRIDQQRCR-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.49
Rot. Bonds3

About 1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide

1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 71528865) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID71528865
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCOc1cccc(-c2nc(C(N)=O)cc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C19H15N3O2/c1-24-12-6-4-5-11(9-12)17-18-14(10-16(22-17)19(20)23)13-7-2-3-8-15(13)21-18/h2-10,21H,1H3,(H2,20,23)
InChIKeyDWSKGTRIDQQRCR-UHFFFAOYSA-N
XLogP3.49
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-[[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]-5-oxopentanoic acid
CID 6235704
N-cyclohexyl-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6279501
2-[[1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 6235846
1-thiophen-3-yl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 10541746
ethyl 1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 50923214
N-(3-imidazol-1-ylpropyl)-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6314230
1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 57392198
1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 141298361
1-[(4-methoxyanilino)carbamoyl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 175438375
N-(2-aminoethyl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;ethane-1,2-diamine;1-[1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]ethanone
CID 158330800
4-[1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl]-2-methyl-4-oxobutanoic acid
CID 159018259
1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172843390

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide (CID 71528865) is 1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide is COc1cccc(-c2nc(C(N)=O)cc3c2[nH]c2ccccc23)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is DWSKGTRIDQQRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-24-12-6-4-5-11(9-12)17-18-14(10-16(22-17)19(20)23)13-7-2-3-8-15(13)21-18/h2-10,21H,1H3,(H2,20,23).
What are the key properties of 1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide?
1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 71528865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).