5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C21H24N4O4 — CID 11452252

IUPAC5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOc1ccc(CC(=O)Nc2cnc3[nH]cc(C(=O)NC(C)C)c3c2)cc1OC
InChIInChI=1S/C21H24N4O4/c1-12(2)24-21(27)16-11-23-20-15(16)9-14(10-22-20)25-19(26)8-13-5-6-17(28-3)18(7-13)29-4/h5-7,9-12H,8H2,1-4H3,(H,22,23)(H,24,27)(H,25,26)
InChIKeyIAZFLMWUHOTUEO-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.90
Rot. Bonds7

About 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 11452252) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID11452252
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOc1ccc(CC(=O)Nc2cnc3[nH]cc(C(=O)NC(C)C)c3c2)cc1OC
InChIInChI=1S/C21H24N4O4/c1-12(2)24-21(27)16-11-23-20-15(16)9-14(10-22-20)25-19(26)8-13-5-6-17(28-3)18(7-13)29-4/h5-7,9-12H,8H2,1-4H3,(H,22,23)(H,24,27)(H,25,26)
InChIKeyIAZFLMWUHOTUEO-UHFFFAOYSA-N
XLogP2.90
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010361
N-[(4-fluorophenyl)methyl]-5-[(2-phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 11384085
2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide
CID 110634746
2-(3,4-dimethoxyphenyl)-N-[5-(3-methoxypropylamino)-2-pyridinyl]acetamide
CID 113025196
N-(4-tert-butylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 7741769
N-[6-(diethylamino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113014574
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113015910
N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113024001
2-(3,4-dimethoxyphenyl)-N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 11718243
N-(3,5-dichlorophenyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 3482890
2-(3,4-dimethoxyphenyl)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026619
N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide
CID 155556093

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 11452252) is 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is COc1ccc(CC(=O)Nc2cnc3[nH]cc(C(=O)NC(C)C)c3c2)cc1OC.
What is the InChIKey of 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is IAZFLMWUHOTUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-12(2)24-21(27)16-11-23-20-15(16)9-14(10-22-20)25-19(26)8-13-5-6-17(28-3)18(7-13)29-4/h5-7,9-12H,8H2,1-4H3,(H,22,23)(H,24,27)(H,25,26).
What are the key properties of 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-propan-2-yl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 11452252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).