5-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide

C15H17N5O3S — CID 109283221

IUPAC5-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc(NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C15H17N5O3S/c21-15(19-7-11-2-1-4-16-6-11)13-8-18-14(9-17-13)20-12-3-5-24(22,23)10-12/h1-2,4,6,8-9,12H,3,5,7,10H2,(H,18,20)(H,19,21)
InChIKeyVICUHMLSMHLKKX-UHFFFAOYSA-N
MW347.40 g/mol
LogP0.40
Rot. Bonds5

About 5-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide

5-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109283221) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is 5-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
PubChem CID109283221
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC Name5-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc(NC2CCS(=O)(=O)C2)cn1
InChIInChI=1S/C15H17N5O3S/c21-15(19-7-11-2-1-4-16-6-11)13-8-18-14(9-17-13)20-12-3-5-24(22,23)10-12/h1-2,4,6,8-9,12H,3,5,7,10H2,(H,18,20)(H,19,21)
InChIKeyVICUHMLSMHLKKX-UHFFFAOYSA-N
XLogP0.40
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109349998
N-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109281808
N-(1,1-dioxothiolan-3-yl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191320
6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121378
5-(cyclohexylamino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109274849
N-(4-acetamidophenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109285306
3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(pyridin-3-ylmethyl)benzamide
CID 42655880
6-(cyclohexylamino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109341836
5-[(1,1-dioxothiolan-3-yl)amino]-N-(2-ethyl-6-methylphenyl)pyrazine-2-carboxamide
CID 109285271
5-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189604
N-(1,1-dioxothiolan-3-yl)-3-(pyridin-3-ylmethylamino)propanamide
CID 109023628
5-(cyclopropylamino)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109271773

Frequently Asked Questions

What is the IUPAC name of 5-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide (CID 109283221) is 5-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide is O=C(NCc1cccnc1)c1cnc(NC2CCS(=O)(=O)C2)cn1.
What is the InChIKey of 5-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is VICUHMLSMHLKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c21-15(19-7-11-2-1-4-16-6-11)13-8-18-14(9-17-13)20-12-3-5-24(22,23)10-12/h1-2,4,6,8-9,12H,3,5,7,10H2,(H,18,20)(H,19,21).
What are the key properties of 5-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide?
5-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109283221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).