4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide

C17H22N2O2S — CID 111784445

IUPAC4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCC(CO)Cc2ccccn2)sc1C
InChIInChI=1S/C17H22N2O2S/c1-3-14-9-16(22-12(14)2)17(21)19-10-13(11-20)8-15-6-4-5-7-18-15/h4-7,9,13,20H,3,8,10-11H2,1-2H3,(H,19,21)
InChIKeyGTIGAUWLVPMSCN-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.59
Rot. Bonds7

About 4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide

4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide (PubChem CID 111784445) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide
PubChem CID111784445
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)NCC(CO)Cc2ccccn2)sc1C
InChIInChI=1S/C17H22N2O2S/c1-3-14-9-16(22-12(14)2)17(21)19-10-13(11-20)8-15-6-4-5-7-18-15/h4-7,9,13,20H,3,8,10-11H2,1-2H3,(H,19,21)
InChIKeyGTIGAUWLVPMSCN-UHFFFAOYSA-N
XLogP2.59
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-benzothiophene-2-carboxamide
CID 111784598
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(2-methylphenyl)acetamide
CID 111784444
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide
CID 111784833
4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide
CID 71862079
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methoxypropanamide
CID 111784780
5-chloro-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]pyridine-2-carboxamide
CID 71977436
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 111784829
N-[(2R)-2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 99814320
1-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111794675
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide
CID 111784865
1-benzyl-3-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]urea
CID 111793371
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-phenylsulfanylacetamide
CID 111784465

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide (CID 111784445) is 4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)NCC(CO)Cc2ccccn2)sc1C.
What is the InChIKey of 4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide?
The InChIKey is GTIGAUWLVPMSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-3-14-9-16(22-12(14)2)17(21)19-10-13(11-20)8-15-6-4-5-7-18-15/h4-7,9,13,20H,3,8,10-11H2,1-2H3,(H,19,21).
What are the key properties of 4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide?
4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 111784445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).