1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide

C22H20N4O2 — CID 57392198

IUPAC1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NN=C(C)C)cc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C22H20N4O2/c1-13(2)25-26-22(27)19-12-17-16-6-4-5-7-18(16)23-21(17)20(24-19)14-8-10-15(28-3)11-9-14/h4-12,23H,1-3H3,(H,26,27)
InChIKeyWOXBIBPCPNZEOY-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.52
Rot. Bonds4

About 1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide

1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 57392198) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID57392198
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NN=C(C)C)cc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C22H20N4O2/c1-13(2)25-26-22(27)19-12-17-16-6-4-5-7-18(16)23-21(17)20(24-19)14-8-10-15(28-3)11-9-14/h4-12,23H,1-3H3,(H,26,27)
InChIKeyWOXBIBPCPNZEOY-UHFFFAOYSA-N
XLogP4.52
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172843390
1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 71528865
1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbohydrazide
CID 141453848
methyl 1-(4-formylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylate
CID 141454158
1-(4-chlorophenyl)-N-ethyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172750422
N-cyclohexyl-1-(3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6279501
2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
CID 6235795
N-[(E)-cyclopentylmethylideneamino]-1-(3-hydroxy-4-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 57395669
1-(4-hydroxy-3-methoxyphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 141298361
1-(4-methoxyphenyl)-N-[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 170552898
N-[2-(dimethylamino)ethyl]-1-(4-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
CID 166760645

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide (CID 57392198) is 1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide is COc1ccc(-c2nc(C(=O)NN=C(C)C)cc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is WOXBIBPCPNZEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-13(2)25-26-22(27)19-12-17-16-6-4-5-7-18(16)23-21(17)20(24-19)14-8-10-15(28-3)11-9-14/h4-12,23H,1-3H3,(H,26,27).
What are the key properties of 1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide?
1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(propan-2-ylideneamino)-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 57392198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).