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

C25H29N3O3 — CID 53160754

IUPACN-(2-methoxy-5-methylphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1cccc(CN2CCc3c(cc(C(=O)Nc4cc(C)ccc4OC)n3C)C2)c1
InChIInChI=1S/C25H29N3O3/c1-17-8-9-24(31-4)21(12-17)26-25(29)23-14-19-16-28(11-10-22(19)27(23)2)15-18-6-5-7-20(13-18)30-3/h5-9,12-14H,10-11,15-16H2,1-4H3,(H,26,29)
InChIKeyDKRLALPHTVXPAQ-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.16
Rot. Bonds6

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

N-(2-methoxy-5-methylphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53160754) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53160754
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-(2-methoxy-5-methylphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCOc1cccc(CN2CCc3c(cc(C(=O)Nc4cc(C)ccc4OC)n3C)C2)c1
InChIInChI=1S/C25H29N3O3/c1-17-8-9-24(31-4)21(12-17)26-25(29)23-14-19-16-28(11-10-22(19)27(23)2)15-18-6-5-7-20(13-18)30-3/h5-9,12-14H,10-11,15-16H2,1-4H3,(H,26,29)
InChIKeyDKRLALPHTVXPAQ-UHFFFAOYSA-N
XLogP4.16
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 53160754) is N-(2-methoxy-5-methylphenyl)-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-methoxy-5-methylphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is COc1cccc(CN2CCc3c(cc(C(=O)Nc4cc(C)ccc4OC)n3C)C2)c1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is DKRLALPHTVXPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-17-8-9-24(31-4)21(12-17)26-25(29)23-14-19-16-28(11-10-22(19)27(23)2)15-18-6-5-7-20(13-18)30-3/h5-9,12-14H,10-11,15-16H2,1-4H3,(H,26,29).
What are the key properties of N-(2-methoxy-5-methylphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-(2-methoxy-5-methylphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53160754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).