6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide

C23H22N4O3 — CID 134807721

IUPAC6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc3c(ccn3C)c(C(=O)NCc3cccnc3)n2)cc1OC
InChIInChI=1S/C23H22N4O3/c1-27-10-8-17-19(27)12-18(16-6-7-20(29-2)21(11-16)30-3)26-22(17)23(28)25-14-15-5-4-9-24-13-15/h4-13H,14H2,1-3H3,(H,25,28)
InChIKeyUTCNEEAJIFAXQT-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.58
Rot. Bonds6

About 6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide

6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide (PubChem CID 134807721) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
PubChem CID134807721
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc3c(ccn3C)c(C(=O)NCc3cccnc3)n2)cc1OC
InChIInChI=1S/C23H22N4O3/c1-27-10-8-17-19(27)12-18(16-6-7-20(29-2)21(11-16)30-3)26-22(17)23(28)25-14-15-5-4-9-24-13-15/h4-13H,14H2,1-3H3,(H,25,28)
InChIKeyUTCNEEAJIFAXQT-UHFFFAOYSA-N
XLogP3.58
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide with MolForge

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Related Compounds

6-(4-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
CID 134807730
6-[4-(hydroxymethyl)phenyl]-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
CID 134811001
6-(3-hydroxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
CID 134806937
2-(3,4-dimethoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 122175472
6-(1-methylindol-5-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 117093745
5-(3,4-dimethoxyphenyl)-2-methyl-1,1-dioxo-N-(pyridin-3-ylmethyl)-1,2,6-thiadiazine-3-carboxamide
CID 22515232
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
2-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258829
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185
N-[(3,4-dimethoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157851
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213046

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide (CID 134807721) is 6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide is COc1ccc(-c2cc3c(ccn3C)c(C(=O)NCc3cccnc3)n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide?
The InChIKey is UTCNEEAJIFAXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-27-10-8-17-19(27)12-18(16-6-7-20(29-2)21(11-16)30-3)26-22(17)23(28)25-14-15-5-4-9-24-13-15/h4-13H,14H2,1-3H3,(H,25,28).
What are the key properties of 6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide?
6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 134807721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).