2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide

C19H23N3O3 — CID 131909771

IUPAC2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(CN3CCCC3)c2)c(OC)n1
InChIInChI=1S/C19H23N3O3/c1-24-17-9-8-16(19(21-17)25-2)18(23)20-15-7-5-6-14(12-15)13-22-10-3-4-11-22/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,20,23)
InChIKeyNCABFVFLZJTMQS-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.95
Rot. Bonds6

About 2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide

2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide (PubChem CID 131909771) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
PubChem CID131909771
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2cccc(CN3CCCC3)c2)c(OC)n1
InChIInChI=1S/C19H23N3O3/c1-24-17-9-8-16(19(21-17)25-2)18(23)20-15-7-5-6-14(12-15)13-22-10-3-4-11-22/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,20,23)
InChIKeyNCABFVFLZJTMQS-UHFFFAOYSA-N
XLogP2.95
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide (CID 131909771) is 2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide is COc1ccc(C(=O)Nc2cccc(CN3CCCC3)c2)c(OC)n1.
What is the InChIKey of 2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is NCABFVFLZJTMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-17-9-8-16(19(21-17)25-2)18(23)20-15-7-5-6-14(12-15)13-22-10-3-4-11-22/h5-9,12H,3-4,10-11,13H2,1-2H3,(H,20,23).
What are the key properties of 2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide?
2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 131909771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).