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

C21H18N4O2 — CID 134806937

IUPAC6-(3-hydroxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
SMILESCn1ccc2c(C(=O)NCc3cccnc3)nc(-c3cccc(O)c3)cc21
InChIInChI=1S/C21H18N4O2/c1-25-9-7-17-19(25)11-18(15-5-2-6-16(26)10-15)24-20(17)21(27)23-13-14-4-3-8-22-12-14/h2-12,26H,13H2,1H3,(H,23,27)
InChIKeyZWVBFXWAKRVIHG-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.27
Rot. Bonds4

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

6-(3-hydroxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide (PubChem CID 134806937) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-(3-hydroxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(3-hydroxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
PubChem CID134806937
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name6-(3-hydroxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
SMILESCn1ccc2c(C(=O)NCc3cccnc3)nc(-c3cccc(O)c3)cc21
InChIInChI=1S/C21H18N4O2/c1-25-9-7-17-19(25)11-18(15-5-2-6-16(26)10-15)24-20(17)21(27)23-13-14-4-3-8-22-12-14/h2-12,26H,13H2,1H3,(H,23,27)
InChIKeyZWVBFXWAKRVIHG-UHFFFAOYSA-N
XLogP3.27
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(hydroxymethyl)phenyl]-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
CID 134811001
6-(4-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
CID 134807730
6-(3,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
CID 134807721
6-(1-methylindol-5-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 117093745
6-(3-acetamidophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide
CID 134809619
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(3-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridine-4-carboxamide
CID 134804940
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
2-(3-acetylphenyl)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 117089751
5-(3-methylphenyl)-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 175651298
6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 117083141
3-pyridin-3-yl-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 69004411
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide?
The IUPAC name of 6-(3-hydroxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide (CID 134806937) is 6-(3-hydroxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide.
What is the SMILES notation for 6-(3-hydroxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide?
The canonical SMILES for 6-(3-hydroxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide is Cn1ccc2c(C(=O)NCc3cccnc3)nc(-c3cccc(O)c3)cc21.
What is the InChIKey of 6-(3-hydroxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide?
The InChIKey is ZWVBFXWAKRVIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-25-9-7-17-19(25)11-18(15-5-2-6-16(26)10-15)24-20(17)21(27)23-13-14-4-3-8-22-12-14/h2-12,26H,13H2,1H3,(H,23,27).
What are the key properties of 6-(3-hydroxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide?
6-(3-hydroxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 134806937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).