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

C22H20N4O2 — CID 134811001

IUPAC6-[4-(hydroxymethyl)phenyl]-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
SMILESCn1ccc2c(C(=O)NCc3cccnc3)nc(-c3ccc(CO)cc3)cc21
InChIInChI=1S/C22H20N4O2/c1-26-10-8-18-20(26)11-19(17-6-4-15(14-27)5-7-17)25-21(18)22(28)24-13-16-3-2-9-23-12-16/h2-12,27H,13-14H2,1H3,(H,24,28)
InChIKeyLCTHBCCLIRDDMR-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.06
Rot. Bonds5

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

6-[4-(hydroxymethyl)phenyl]-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide (PubChem CID 134811001) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)phenyl]-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)phenyl]-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
PubChem CID134811001
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name6-[4-(hydroxymethyl)phenyl]-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
SMILESCn1ccc2c(C(=O)NCc3cccnc3)nc(-c3ccc(CO)cc3)cc21
InChIInChI=1S/C22H20N4O2/c1-26-10-8-18-20(26)11-19(17-6-4-15(14-27)5-7-17)25-21(18)22(28)24-13-16-3-2-9-23-12-16/h2-12,27H,13-14H2,1H3,(H,24,28)
InChIKeyLCTHBCCLIRDDMR-UHFFFAOYSA-N
XLogP3.06
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[4-(hydroxymethyl)phenyl]-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-(3-hydroxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide
CID 134806937
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
3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
2-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 801778
3-amino-5-(1-methylpyrazol-3-yl)-N-(pyridin-3-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604735
5-methyl-N-(pyridin-3-ylmethyl)-2H-triazole-4-carboxamide
CID 110691661
1-methyl-3-N,5-N-bis(pyridin-3-ylmethyl)pyrazole-3,5-dicarboxamide
CID 29097126
1-N-[(4-methylphenyl)methyl]-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109054359
3-pyridin-3-yl-N-(pyridin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 69004411

Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)phenyl]-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide?
The IUPAC name of 6-[4-(hydroxymethyl)phenyl]-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide (CID 134811001) is 6-[4-(hydroxymethyl)phenyl]-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide.
What is the SMILES notation for 6-[4-(hydroxymethyl)phenyl]-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide?
The canonical SMILES for 6-[4-(hydroxymethyl)phenyl]-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide is Cn1ccc2c(C(=O)NCc3cccnc3)nc(-c3ccc(CO)cc3)cc21.
What is the InChIKey of 6-[4-(hydroxymethyl)phenyl]-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide?
The InChIKey is LCTHBCCLIRDDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-26-10-8-18-20(26)11-19(17-6-4-15(14-27)5-7-17)25-21(18)22(28)24-13-16-3-2-9-23-12-16/h2-12,27H,13-14H2,1H3,(H,24,28).
What are the key properties of 6-[4-(hydroxymethyl)phenyl]-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide?
6-[4-(hydroxymethyl)phenyl]-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)phenyl]-1-methyl-N-(pyridin-3-ylmethyl)pyrrolo[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 134811001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).