2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide

C26H25N3O2 — CID 16955584

IUPAC2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide
SMILESCc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(C)c(C)c3)n3ccccc23)cc1C
InChIInChI=1S/C26H25N3O2/c1-15-8-10-19(13-17(15)3)25(30)24-23(27)22(21-7-5-6-12-29(21)24)26(31)28-20-11-9-16(2)18(4)14-20/h5-14H,27H2,1-4H3,(H,28,31)
InChIKeyNCNYIYDOCDBGCX-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.24
Rot. Bonds4

About 2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide

2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide (PubChem CID 16955584) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide.

Molecular Properties

Compound Name2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide
PubChem CID16955584
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide
SMILESCc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(C)c(C)c3)n3ccccc23)cc1C
InChIInChI=1S/C26H25N3O2/c1-15-8-10-19(13-17(15)3)25(30)24-23(27)22(21-7-5-6-12-29(21)24)26(31)28-20-11-9-16(2)18(4)14-20/h5-14H,27H2,1-4H3,(H,28,31)
InChIKeyNCNYIYDOCDBGCX-UHFFFAOYSA-N
XLogP5.24
TPSA76.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-benzoyl-N-(3,4-dichlorophenyl)indolizine-1-carboxamide
CID 18576462
2-amino-N-(3,5-dichlorophenyl)-3-(3,4-dimethoxybenzoyl)indolizine-1-carboxamide
CID 20994575
2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 18576467
2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide
CID 20994572
2-amino-N-(4-ethylphenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 18576442
2-amino-3-(4-nitrobenzoyl)-N-phenylindolizine-1-carboxamide
CID 18576373
2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide
CID 18576502
2-amino-N-(2,4-dimethylphenyl)-3-(thiophene-2-carbonyl)indolizine-1-carboxamide
CID 18576392
2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide
CID 16955655
ethyl 2-amino-3-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)indolizine-1-carboxylate
CID 20994529
(1-amino-2-methylindolizin-3-yl)-(4-aminophenyl)methanone
CID 141181646
1-N-(3,4-dimethylphenyl)-3-N-(3-methylphenyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071931

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide?
The IUPAC name of 2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide (CID 16955584) is 2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide.
What is the SMILES notation for 2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide?
The canonical SMILES for 2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide is Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(C)c(C)c3)n3ccccc23)cc1C.
What is the InChIKey of 2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide?
The InChIKey is NCNYIYDOCDBGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-15-8-10-19(13-17(15)3)25(30)24-23(27)22(21-7-5-6-12-29(21)24)26(31)28-20-11-9-16(2)18(4)14-20/h5-14H,27H2,1-4H3,(H,28,31).
What are the key properties of 2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide?
2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide is sourced from PubChem (CID 16955584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).