N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide

C24H24N4O4 — CID 6217429

IUPACN-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCOc1cc(NC(=O)C(C)NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)cc(OC)c1
InChIInChI=1S/C24H24N4O4/c1-13-22-19(18-7-5-6-8-20(18)28-22)12-21(25-13)24(30)26-14(2)23(29)27-15-9-16(31-3)11-17(10-15)32-4/h5-12,14,28H,1-4H3,(H,26,30)(H,27,29)
InChIKeyQEUZMDWBBLKWEZ-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.80
Rot. Bonds6

About N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide

N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 6217429) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID6217429
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCOc1cc(NC(=O)C(C)NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)cc(OC)c1
InChIInChI=1S/C24H24N4O4/c1-13-22-19(18-7-5-6-8-20(18)28-22)12-21(25-13)24(30)26-14(2)23(29)27-15-9-16(31-3)11-17(10-15)32-4/h5-12,14,28H,1-4H3,(H,26,30)(H,27,29)
InChIKeyQEUZMDWBBLKWEZ-UHFFFAOYSA-N
XLogP3.80
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide with MolForge

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Related Compounds

N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6217109
1-methyl-N-[1-oxo-1-(1-phenylpropan-2-ylamino)propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6235992
N-[1-(2,1,3-benzoxadiazol-4-ylamino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6221789
N-[1-oxo-1-(3,4,5-trimethoxyanilino)propan-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 4839218
2-[[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]-3-phenylpropanoyl]amino]propanoic acid
CID 6216968
(3S)-3-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]-4-oxo-4-phenylmethoxybutanoic acid
CID 141093615
2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]benzoic acid
CID 5409746
2-[(1-phenyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
CID 6235795
1-phenyl-N-propan-2-yl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 172843390
N-(3,5-dimethoxyphenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanamide
CID 23858747
3-(4-hydroxyphenyl)-2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoic acid
CID 6217394
benzyl (3S)-3-amino-4-[2-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)hydrazinyl]-4-oxobutanoate
CID 57403192

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide (CID 6217429) is N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide is COc1cc(NC(=O)C(C)NC(=O)c2cc3c([nH]c4ccccc43)c(C)n2)cc(OC)c1.
What is the InChIKey of N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is QEUZMDWBBLKWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-13-22-19(18-7-5-6-8-20(18)28-22)12-21(25-13)24(30)26-14(2)23(29)27-15-9-16(31-3)11-17(10-15)32-4/h5-12,14,28H,1-4H3,(H,26,30)(H,27,29).
What are the key properties of N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 6217429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).