5-chloro-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiophene-2-carboxamide

C19H19ClN4OS — CID 26390821

IUPAC5-chloro-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiophene-2-carboxamide
SMILESCN(CCc1ccccn1)c1ncccc1CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C19H19ClN4OS/c1-24(12-9-15-6-2-3-10-21-15)18-14(5-4-11-22-18)13-23-19(25)16-7-8-17(20)26-16/h2-8,10-11H,9,12-13H2,1H3,(H,23,25)
InChIKeyZBRJMCDDIMXLNP-UHFFFAOYSA-N
MW386.91 g/mol
LogP3.80
Rot. Bonds7

About 5-chloro-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiophene-2-carboxamide

5-chloro-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiophene-2-carboxamide (PubChem CID 26390821) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is 5-chloro-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiophene-2-carboxamide
PubChem CID26390821
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC Name5-chloro-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiophene-2-carboxamide
SMILESCN(CCc1ccccn1)c1ncccc1CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C19H19ClN4OS/c1-24(12-9-15-6-2-3-10-21-15)18-14(5-4-11-22-18)13-23-19(25)16-7-8-17(20)26-16/h2-8,10-11H,9,12-13H2,1H3,(H,23,25)
InChIKeyZBRJMCDDIMXLNP-UHFFFAOYSA-N
XLogP3.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiophene-2-carboxamide (CID 26390821) is 5-chloro-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiophene-2-carboxamide is CN(CCc1ccccn1)c1ncccc1CNC(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiophene-2-carboxamide?
The InChIKey is ZBRJMCDDIMXLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c1-24(12-9-15-6-2-3-10-21-15)18-14(5-4-11-22-18)13-23-19(25)16-7-8-17(20)26-16/h2-8,10-11H,9,12-13H2,1H3,(H,23,25).
What are the key properties of 5-chloro-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiophene-2-carboxamide has a molecular weight of 386.91 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 26390821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).