4-[4-(dimethylamino)phenyl]-6-methyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid

C19H23N3O2 — CID 82220452

IUPAC4-[4-(dimethylamino)phenyl]-6-methyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
SMILESCc1cc(-c2ccc(N(C)C)cc2)c(C(=O)O)c(N2CCCC2)n1
InChIInChI=1S/C19H23N3O2/c1-13-12-16(14-6-8-15(9-7-14)21(2)3)17(19(23)24)18(20-13)22-10-4-5-11-22/h6-9,12H,4-5,10-11H2,1-3H3,(H,23,24)
InChIKeyWKEKACLFSSLQSD-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.42
Rot. Bonds4

About 4-[4-(dimethylamino)phenyl]-6-methyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid

4-[4-(dimethylamino)phenyl]-6-methyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid (PubChem CID 82220452) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-6-methyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-6-methyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
PubChem CID82220452
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[4-(dimethylamino)phenyl]-6-methyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
SMILESCc1cc(-c2ccc(N(C)C)cc2)c(C(=O)O)c(N2CCCC2)n1
InChIInChI=1S/C19H23N3O2/c1-13-12-16(14-6-8-15(9-7-14)21(2)3)17(19(23)24)18(20-13)22-10-4-5-11-22/h6-9,12H,4-5,10-11H2,1-3H3,(H,23,24)
InChIKeyWKEKACLFSSLQSD-UHFFFAOYSA-N
XLogP3.42
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-6-methyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-6-methyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid (CID 82220452) is 4-[4-(dimethylamino)phenyl]-6-methyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-6-methyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-6-methyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid is Cc1cc(-c2ccc(N(C)C)cc2)c(C(=O)O)c(N2CCCC2)n1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-6-methyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The InChIKey is WKEKACLFSSLQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-12-16(14-6-8-15(9-7-14)21(2)3)17(19(23)24)18(20-13)22-10-4-5-11-22/h6-9,12H,4-5,10-11H2,1-3H3,(H,23,24).
What are the key properties of 4-[4-(dimethylamino)phenyl]-6-methyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid?
4-[4-(dimethylamino)phenyl]-6-methyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-6-methyl-2-pyrrolidin-1-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 82220452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).