2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide

C25H23N3O5 — CID 20994572

IUPAC2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide
SMILESCOc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccc(OC)c(OC)c2)n2ccccc12
InChIInChI=1S/C25H23N3O5/c1-31-18-10-5-4-8-16(18)27-25(30)21-17-9-6-7-13-28(17)23(22(21)26)24(29)15-11-12-19(32-2)20(14-15)33-3/h4-14H,26H2,1-3H3,(H,27,30)
InChIKeyKKSPZBGOZOINTI-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.03
Rot. Bonds7

About 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide

2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide (PubChem CID 20994572) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide.

Molecular Properties

Compound Name2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide
PubChem CID20994572
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide
SMILESCOc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccc(OC)c(OC)c2)n2ccccc12
InChIInChI=1S/C25H23N3O5/c1-31-18-10-5-4-8-16(18)27-25(30)21-17-9-6-7-13-28(17)23(22(21)26)24(29)15-11-12-19(32-2)20(14-15)33-3/h4-14H,26H2,1-3H3,(H,27,30)
InChIKeyKKSPZBGOZOINTI-UHFFFAOYSA-N
XLogP4.03
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-(3,5-dichlorophenyl)-3-(3,4-dimethoxybenzoyl)indolizine-1-carboxamide
CID 20994575
2-amino-3-(3,4-dimethylbenzoyl)-N-(3,4-dimethylphenyl)indolizine-1-carboxamide
CID 16955584
2-amino-3-(4-methoxybenzoyl)indolizine-1-carboxamide
CID 177255832
2-amino-N-(2-ethylphenyl)-3-(3-nitrobenzoyl)indolizine-1-carboxamide
CID 16955655
2-amino-N-(3-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 18576467
2-amino-N-(4-chlorophenyl)-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 7294632
2-amino-N-(5-chloro-2-methylphenyl)-3-(4-nitrobenzoyl)indolizine-1-carboxamide
CID 18576502
2-amino-3-benzoyl-N-(3,4-dichlorophenyl)indolizine-1-carboxamide
CID 18576462
3,4-dimethoxy-N-[2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46355860
4-amino-3,5-dichloro-N-(2-methoxyphenyl)benzamide
CID 82792962
3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide?
The IUPAC name of 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide (CID 20994572) is 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide.
What is the SMILES notation for 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide?
The canonical SMILES for 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide is COc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccc(OC)c(OC)c2)n2ccccc12.
What is the InChIKey of 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide?
The InChIKey is KKSPZBGOZOINTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-31-18-10-5-4-8-16(18)27-25(30)21-17-9-6-7-13-28(17)23(22(21)26)24(29)15-11-12-19(32-2)20(14-15)33-3/h4-14H,26H2,1-3H3,(H,27,30).
What are the key properties of 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide?
2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,4-dimethoxybenzoyl)-N-(2-methoxyphenyl)indolizine-1-carboxamide is sourced from PubChem (CID 20994572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).