2,6-dimethoxy-N-(4-pyrrolidin-3-ylphenyl)pyridine-3-carboxamide

C18H21N3O3 — CID 58315575

IUPAC2,6-dimethoxy-N-(4-pyrrolidin-3-ylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(C3CCNC3)cc2)c(OC)n1
InChIInChI=1S/C18H21N3O3/c1-23-16-8-7-15(18(21-16)24-2)17(22)20-14-5-3-12(4-6-14)13-9-10-19-11-13/h3-8,13,19H,9-11H2,1-2H3,(H,20,22)
InChIKeyTWVLHOJNKLTPFZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.43
Rot. Bonds5

About 2,6-dimethoxy-N-(4-pyrrolidin-3-ylphenyl)pyridine-3-carboxamide

2,6-dimethoxy-N-(4-pyrrolidin-3-ylphenyl)pyridine-3-carboxamide (PubChem CID 58315575) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2,6-dimethoxy-N-(4-pyrrolidin-3-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-(4-pyrrolidin-3-ylphenyl)pyridine-3-carboxamide
PubChem CID58315575
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2,6-dimethoxy-N-(4-pyrrolidin-3-ylphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(C3CCNC3)cc2)c(OC)n1
InChIInChI=1S/C18H21N3O3/c1-23-16-8-7-15(18(21-16)24-2)17(22)20-14-5-3-12(4-6-14)13-9-10-19-11-13/h3-8,13,19H,9-11H2,1-2H3,(H,20,22)
InChIKeyTWVLHOJNKLTPFZ-UHFFFAOYSA-N
XLogP2.43
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-(4-pyrrolidin-3-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethoxy-N-(4-pyrrolidin-3-ylphenyl)pyridine-3-carboxamide (CID 58315575) is 2,6-dimethoxy-N-(4-pyrrolidin-3-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethoxy-N-(4-pyrrolidin-3-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethoxy-N-(4-pyrrolidin-3-ylphenyl)pyridine-3-carboxamide is COc1ccc(C(=O)Nc2ccc(C3CCNC3)cc2)c(OC)n1.
What is the InChIKey of 2,6-dimethoxy-N-(4-pyrrolidin-3-ylphenyl)pyridine-3-carboxamide?
The InChIKey is TWVLHOJNKLTPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-16-8-7-15(18(21-16)24-2)17(22)20-14-5-3-12(4-6-14)13-9-10-19-11-13/h3-8,13,19H,9-11H2,1-2H3,(H,20,22).
What are the key properties of 2,6-dimethoxy-N-(4-pyrrolidin-3-ylphenyl)pyridine-3-carboxamide?
2,6-dimethoxy-N-(4-pyrrolidin-3-ylphenyl)pyridine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-(4-pyrrolidin-3-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 58315575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).