N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

C21H26N4OS — CID 78871270

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC(c2cccs2)N(C)C)c(C)n1Cc1ccccn1
InChIInChI=1S/C21H26N4OS/c1-15-12-18(16(2)25(15)14-17-8-5-6-10-22-17)21(26)23-13-19(24(3)4)20-9-7-11-27-20/h5-12,19H,13-14H2,1-4H3,(H,23,26)
InChIKeyXBFYUMFXKPDANN-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.64
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 78871270) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID78871270
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC(c2cccs2)N(C)C)c(C)n1Cc1ccccn1
InChIInChI=1S/C21H26N4OS/c1-15-12-18(16(2)25(15)14-17-8-5-6-10-22-17)21(26)23-13-19(24(3)4)20-9-7-11-27-20/h5-12,19H,13-14H2,1-4H3,(H,23,26)
InChIKeyXBFYUMFXKPDANN-UHFFFAOYSA-N
XLogP3.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (CID 78871270) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)NCC(c2cccs2)N(C)C)c(C)n1Cc1ccccn1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is XBFYUMFXKPDANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-15-12-18(16(2)25(15)14-17-8-5-6-10-22-17)21(26)23-13-19(24(3)4)20-9-7-11-27-20/h5-12,19H,13-14H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 78871270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).