3-acetyl-1-[(2,4-dichlorophenyl)methyl]-2-propylpyrrolo[2,3-b]pyridine-6-carboxamide

C20H19Cl2N3O2 — CID 139765128

IUPAC3-acetyl-1-[(2,4-dichlorophenyl)methyl]-2-propylpyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCCCc1c(C(C)=O)c2ccc(C(N)=O)nc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H19Cl2N3O2/c1-3-4-17-18(11(2)26)14-7-8-16(19(23)27)24-20(14)25(17)10-12-5-6-13(21)9-15(12)22/h5-9H,3-4,10H2,1-2H3,(H2,23,27)
InChIKeyUOHGMEGNPWZOBQ-UHFFFAOYSA-N
MW404.30 g/mol
LogP4.65
Rot. Bonds6

About 3-acetyl-1-[(2,4-dichlorophenyl)methyl]-2-propylpyrrolo[2,3-b]pyridine-6-carboxamide

3-acetyl-1-[(2,4-dichlorophenyl)methyl]-2-propylpyrrolo[2,3-b]pyridine-6-carboxamide (PubChem CID 139765128) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is 3-acetyl-1-[(2,4-dichlorophenyl)methyl]-2-propylpyrrolo[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-acetyl-1-[(2,4-dichlorophenyl)methyl]-2-propylpyrrolo[2,3-b]pyridine-6-carboxamide
PubChem CID139765128
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC Name3-acetyl-1-[(2,4-dichlorophenyl)methyl]-2-propylpyrrolo[2,3-b]pyridine-6-carboxamide
SMILESCCCc1c(C(C)=O)c2ccc(C(N)=O)nc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H19Cl2N3O2/c1-3-4-17-18(11(2)26)14-7-8-16(19(23)27)24-20(14)25(17)10-12-5-6-13(21)9-15(12)22/h5-9H,3-4,10H2,1-2H3,(H2,23,27)
InChIKeyUOHGMEGNPWZOBQ-UHFFFAOYSA-N
XLogP4.65
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-1-[(4-amino-2-chlorophenyl)methyl]-2-propylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 139765138
3-[(2,4-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 18681118
1-[1-[(4-chloro-2-fluorophenyl)methyl]-2-propylindol-3-yl]-2-methylpropan-1-one
CID 54147653
N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 1293138
1-[(2,4-dichlorophenyl)methyl]-2-methyl-4-oxoquinazoline-7-carboxylic acid
CID 22387822
4-[(2,4-dichlorophenyl)methyl]-3-methyl-1H-1,2,4-triazol-5-one
CID 50982347
5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide
CID 14662861
6-amino-3-[(2,4-dichlorophenyl)methyl]-2-propylsulfanylpyrimidin-4-one
CID 24823752
1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
CID 11537039
2-amino-2-[3-[(2,4-dichlorophenyl)methyl]-2-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl]acetic acid
CID 123535584
3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylimidazo[4,5-b]pyridine-5-carboxamide
CID 22388026
ethyl 2-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetate
CID 19838821

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-[(2,4-dichlorophenyl)methyl]-2-propylpyrrolo[2,3-b]pyridine-6-carboxamide?
The IUPAC name of 3-acetyl-1-[(2,4-dichlorophenyl)methyl]-2-propylpyrrolo[2,3-b]pyridine-6-carboxamide (CID 139765128) is 3-acetyl-1-[(2,4-dichlorophenyl)methyl]-2-propylpyrrolo[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-acetyl-1-[(2,4-dichlorophenyl)methyl]-2-propylpyrrolo[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for 3-acetyl-1-[(2,4-dichlorophenyl)methyl]-2-propylpyrrolo[2,3-b]pyridine-6-carboxamide is CCCc1c(C(C)=O)c2ccc(C(N)=O)nc2n1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-acetyl-1-[(2,4-dichlorophenyl)methyl]-2-propylpyrrolo[2,3-b]pyridine-6-carboxamide?
The InChIKey is UOHGMEGNPWZOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-3-4-17-18(11(2)26)14-7-8-16(19(23)27)24-20(14)25(17)10-12-5-6-13(21)9-15(12)22/h5-9H,3-4,10H2,1-2H3,(H2,23,27).
What are the key properties of 3-acetyl-1-[(2,4-dichlorophenyl)methyl]-2-propylpyrrolo[2,3-b]pyridine-6-carboxamide?
3-acetyl-1-[(2,4-dichlorophenyl)methyl]-2-propylpyrrolo[2,3-b]pyridine-6-carboxamide has a molecular weight of 404.30 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-[(2,4-dichlorophenyl)methyl]-2-propylpyrrolo[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 139765128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).