2-(dimethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide

C20H28N4OS — CID 126465661

IUPAC2-(dimethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide
SMILESCc1csc(-c2ccc(C(=O)NCCC3CCCN3C)c(N(C)C)n2)c1
InChIInChI=1S/C20H28N4OS/c1-14-12-18(26-13-14)17-8-7-16(19(22-17)23(2)3)20(25)21-10-9-15-6-5-11-24(15)4/h7-8,12-13,15H,5-6,9-11H2,1-4H3,(H,21,25)
InChIKeyRJGABZAOYFWVOR-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.40
Rot. Bonds6

About 2-(dimethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide

2-(dimethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide (PubChem CID 126465661) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide
PubChem CID126465661
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name2-(dimethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide
SMILESCc1csc(-c2ccc(C(=O)NCCC3CCCN3C)c(N(C)C)n2)c1
InChIInChI=1S/C20H28N4OS/c1-14-12-18(26-13-14)17-8-7-16(19(22-17)23(2)3)20(25)21-10-9-15-6-5-11-24(15)4/h7-8,12-13,15H,5-6,9-11H2,1-4H3,(H,21,25)
InChIKeyRJGABZAOYFWVOR-UHFFFAOYSA-N
XLogP3.40
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide (CID 126465661) is 2-(dimethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide is Cc1csc(-c2ccc(C(=O)NCCC3CCCN3C)c(N(C)C)n2)c1.
What is the InChIKey of 2-(dimethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide?
The InChIKey is RJGABZAOYFWVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-14-12-18(26-13-14)17-8-7-16(19(22-17)23(2)3)20(25)21-10-9-15-6-5-11-24(15)4/h7-8,12-13,15H,5-6,9-11H2,1-4H3,(H,21,25).
What are the key properties of 2-(dimethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide?
2-(dimethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide has a molecular weight of 372.54 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-6-(4-methylthiophen-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 126465661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).