4-(cyclopropanecarbonyl)-3-ethoxy-N-methyl-N-(1H-pyrrolo[3,4-c]pyridin-7-ylmethyl)benzamide

C22H23N3O3 — CID 167549405

IUPAC4-(cyclopropanecarbonyl)-3-ethoxy-N-methyl-N-(1H-pyrrolo[3,4-c]pyridin-7-ylmethyl)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cncc3c2CN=C3)ccc1C(=O)C1CC1
InChIInChI=1S/C22H23N3O3/c1-3-28-20-8-15(6-7-18(20)21(26)14-4-5-14)22(27)25(2)13-17-11-23-9-16-10-24-12-19(16)17/h6-11,14H,3-5,12-13H2,1-2H3
InChIKeyCFDAQJFTKKWYBF-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.28
Rot. Bonds7

About 4-(cyclopropanecarbonyl)-3-ethoxy-N-methyl-N-(1H-pyrrolo[3,4-c]pyridin-7-ylmethyl)benzamide

4-(cyclopropanecarbonyl)-3-ethoxy-N-methyl-N-(1H-pyrrolo[3,4-c]pyridin-7-ylmethyl)benzamide (PubChem CID 167549405) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-3-ethoxy-N-methyl-N-(1H-pyrrolo[3,4-c]pyridin-7-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-3-ethoxy-N-methyl-N-(1H-pyrrolo[3,4-c]pyridin-7-ylmethyl)benzamide
PubChem CID167549405
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-(cyclopropanecarbonyl)-3-ethoxy-N-methyl-N-(1H-pyrrolo[3,4-c]pyridin-7-ylmethyl)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cncc3c2CN=C3)ccc1C(=O)C1CC1
InChIInChI=1S/C22H23N3O3/c1-3-28-20-8-15(6-7-18(20)21(26)14-4-5-14)22(27)25(2)13-17-11-23-9-16-10-24-12-19(16)17/h6-11,14H,3-5,12-13H2,1-2H3
InChIKeyCFDAQJFTKKWYBF-UHFFFAOYSA-N
XLogP3.28
TPSA71.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(cyclopropanecarbonyl)-3-ethoxy-N-methyl-N-(1H-pyrrolo[3,4-c]pyridin-7-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethoxy-N-(3H-isoindol-4-ylmethyl)-N-methyl-4-(1,2-thiazol-5-yl)benzamide
CID 167701457
3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrrolo[3,4-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide
CID 167681187
7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-isoindole-4-carboxylic acid
CID 167668443
7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-pyrrolo[3,4-c]pyridine-4-carboxylic acid
CID 167600153
4-(2-fluorophenyl)-N-(3H-isoindol-4-ylmethyl)-3-methoxy-N-methylbenzamide
CID 167538299
methyl 7-[[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]methyl]-1H-pyrrolo[3,4-c]pyridine-4-carboxylate
CID 167619828
N-[(4-cyano-1H-pyrrolo[3,4-c]pyridin-7-yl)methyl]-3-cyclopropyloxy-N-methyl-4-phenylbenzamide
CID 167598176
N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 61026834
3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028026
N-[(2-chlorophenyl)methyl]-4-ethoxy-N-methylbenzamide
CID 112790366
N-[(7-cyano-3H-isoindol-4-yl)methyl]-5-ethoxy-6-(4-fluoro-3-propanoylphenyl)-N-methylpyridine-3-carboxamide
CID 167615491
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide
CID 55958040

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-3-ethoxy-N-methyl-N-(1H-pyrrolo[3,4-c]pyridin-7-ylmethyl)benzamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-3-ethoxy-N-methyl-N-(1H-pyrrolo[3,4-c]pyridin-7-ylmethyl)benzamide (CID 167549405) is 4-(cyclopropanecarbonyl)-3-ethoxy-N-methyl-N-(1H-pyrrolo[3,4-c]pyridin-7-ylmethyl)benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-3-ethoxy-N-methyl-N-(1H-pyrrolo[3,4-c]pyridin-7-ylmethyl)benzamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-3-ethoxy-N-methyl-N-(1H-pyrrolo[3,4-c]pyridin-7-ylmethyl)benzamide is CCOc1cc(C(=O)N(C)Cc2cncc3c2CN=C3)ccc1C(=O)C1CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-3-ethoxy-N-methyl-N-(1H-pyrrolo[3,4-c]pyridin-7-ylmethyl)benzamide?
The InChIKey is CFDAQJFTKKWYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-28-20-8-15(6-7-18(20)21(26)14-4-5-14)22(27)25(2)13-17-11-23-9-16-10-24-12-19(16)17/h6-11,14H,3-5,12-13H2,1-2H3.
What are the key properties of 4-(cyclopropanecarbonyl)-3-ethoxy-N-methyl-N-(1H-pyrrolo[3,4-c]pyridin-7-ylmethyl)benzamide?
4-(cyclopropanecarbonyl)-3-ethoxy-N-methyl-N-(1H-pyrrolo[3,4-c]pyridin-7-ylmethyl)benzamide has a molecular weight of 377.44 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-3-ethoxy-N-methyl-N-(1H-pyrrolo[3,4-c]pyridin-7-ylmethyl)benzamide is sourced from PubChem (CID 167549405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).