N-(2-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide

C24H27N3O3 — CID 53160749

IUPACN-(2-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1cccc(CN2CCc3c(cc(C(=O)Nc4ccccc4OC)n3C)C2)c1
InChIInChI=1S/C24H27N3O3/c1-26-21-11-12-27(15-17-7-6-8-19(13-17)29-2)16-18(21)14-22(26)24(28)25-20-9-4-5-10-23(20)30-3/h4-10,13-14H,11-12,15-16H2,1-3H3,(H,25,28)
InChIKeyMEBKPOIIPBRRPH-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.85
Rot. Bonds6

About N-(2-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-(2-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53160749) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53160749
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-(2-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1cccc(CN2CCc3c(cc(C(=O)Nc4ccccc4OC)n3C)C2)c1
InChIInChI=1S/C24H27N3O3/c1-26-21-11-12-27(15-17-7-6-8-19(13-17)29-2)16-18(21)14-22(26)24(28)25-20-9-4-5-10-23(20)30-3/h4-10,13-14H,11-12,15-16H2,1-3H3,(H,25,28)
InChIKeyMEBKPOIIPBRRPH-UHFFFAOYSA-N
XLogP3.85
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 53160749) is N-(2-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is COc1cccc(CN2CCc3c(cc(C(=O)Nc4ccccc4OC)n3C)C2)c1.
What is the InChIKey of N-(2-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is MEBKPOIIPBRRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-26-21-11-12-27(15-17-7-6-8-19(13-17)29-2)16-18(21)14-22(26)24(28)25-20-9-4-5-10-23(20)30-3/h4-10,13-14H,11-12,15-16H2,1-3H3,(H,25,28).
What are the key properties of N-(2-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-(2-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53160749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).