5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid

C17H18N4O4S — CID 120685360

IUPAC5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCN(C(=O)c3cnc(C(=O)O)cn3)CC2)s1
InChIInChI=1S/C17H18N4O4S/c1-10-2-3-14(26-10)15(22)20-11-4-6-21(7-5-11)16(23)12-8-19-13(9-18-12)17(24)25/h2-3,8-9,11H,4-7H2,1H3,(H,20,22)(H,24,25)
InChIKeyHQWDEOCPGUUKSZ-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.58
Rot. Bonds4

About 5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid

5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid (PubChem CID 120685360) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid
PubChem CID120685360
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCN(C(=O)c3cnc(C(=O)O)cn3)CC2)s1
InChIInChI=1S/C17H18N4O4S/c1-10-2-3-14(26-10)15(22)20-11-4-6-21(7-5-11)16(23)12-8-19-13(9-18-12)17(24)25/h2-3,8-9,11H,4-7H2,1H3,(H,20,22)(H,24,25)
InChIKeyHQWDEOCPGUUKSZ-UHFFFAOYSA-N
XLogP1.58
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49414960
[4-(methylamino)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 119561429
5-methyl-N-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]thiophene-2-carboxamide
CID 133469263
N-[1-(4-aminobutanoyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide;hydrochloride
CID 119309719
5-methyl-N-[1-(piperidine-3-carbonyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 119309715
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 120899451
N-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49448249
5-methyl-N-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide
CID 49361294
5-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]thiophene-2-carboxamide
CID 49361441
5-methyl-N-[1-(morpholine-3-carbonyl)piperidin-4-yl]thiophene-2-carboxamide;hydrochloride
CID 119759722
N-[1-(5-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 60607349
5-tert-butyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
CID 136515255

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid (CID 120685360) is 5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid is Cc1ccc(C(=O)NC2CCN(C(=O)c3cnc(C(=O)O)cn3)CC2)s1.
What is the InChIKey of 5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid?
The InChIKey is HQWDEOCPGUUKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c1-10-2-3-14(26-10)15(22)20-11-4-6-21(7-5-11)16(23)12-8-19-13(9-18-12)17(24)25/h2-3,8-9,11H,4-7H2,1H3,(H,20,22)(H,24,25).
What are the key properties of 5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid?
5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid has a molecular weight of 374.42 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(5-methylthiophene-2-carbonyl)amino]piperidine-1-carbonyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120685360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).