4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide

C11H15N3O3S — CID 63923173

IUPAC4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC2CCCS(=O)(=O)C2)ccn1
InChIInChI=1S/C11H15N3O3S/c12-11(15)10-6-8(3-4-13-10)14-9-2-1-5-18(16,17)7-9/h3-4,6,9H,1-2,5,7H2,(H2,12,15)(H,13,14)
InChIKeyJAZCUEIXEWVZKW-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.17
Rot. Bonds3

About 4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide

4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide (PubChem CID 63923173) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide
PubChem CID63923173
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(NC2CCCS(=O)(=O)C2)ccn1
InChIInChI=1S/C11H15N3O3S/c12-11(15)10-6-8(3-4-13-10)14-9-2-1-5-18(16,17)7-9/h3-4,6,9H,1-2,5,7H2,(H2,12,15)(H,13,14)
InChIKeyJAZCUEIXEWVZKW-UHFFFAOYSA-N
XLogP0.17
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 43517657
2-amino-5-[(1,1-dioxothian-3-yl)amino]benzamide
CID 63924747
4-[(1-cyclopentylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 154797079
N-(1,1-dioxothian-3-yl)quinoxalin-6-amine
CID 63923027
N-(1,1-dioxothian-3-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 63917314
4-(cyclopentylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109204215
1-[2-amino-4-[(1,1-dioxothian-3-yl)amino]phenyl]ethanone
CID 104528875
4-[(1,1-dioxothiolan-3-yl)amino]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210417
4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol
CID 64794825
4-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109214961
4-[(1,1-dioxothiolan-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109214973
4-[(1,1-dioxothian-3-yl)amino]-2-methylbenzoic acid
CID 81282203

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide?
The IUPAC name of 4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide (CID 63923173) is 4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide is NC(=O)c1cc(NC2CCCS(=O)(=O)C2)ccn1.
What is the InChIKey of 4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide?
The InChIKey is JAZCUEIXEWVZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c12-11(15)10-6-8(3-4-13-10)14-9-2-1-5-18(16,17)7-9/h3-4,6,9H,1-2,5,7H2,(H2,12,15)(H,13,14).
What are the key properties of 4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide?
4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide has a molecular weight of 269.33 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 63923173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).