2-(cyclopropanecarbonylamino)-N-(1,1-dioxothian-3-yl)pyridine-4-carboxamide

C15H19N3O4S — CID 136541956

IUPAC2-(cyclopropanecarbonylamino)-N-(1,1-dioxothian-3-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCCS(=O)(=O)C1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C15H19N3O4S/c19-14(10-3-4-10)18-13-8-11(5-6-16-13)15(20)17-12-2-1-7-23(21,22)9-12/h5-6,8,10,12H,1-4,7,9H2,(H,17,20)(H,16,18,19)
InChIKeyFSWMJMMMCAXFHH-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.74
Rot. Bonds4

About 2-(cyclopropanecarbonylamino)-N-(1,1-dioxothian-3-yl)pyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-(1,1-dioxothian-3-yl)pyridine-4-carboxamide (PubChem CID 136541956) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-(1,1-dioxothian-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-(1,1-dioxothian-3-yl)pyridine-4-carboxamide
PubChem CID136541956
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC Name2-(cyclopropanecarbonylamino)-N-(1,1-dioxothian-3-yl)pyridine-4-carboxamide
SMILESO=C(NC1CCCS(=O)(=O)C1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C15H19N3O4S/c19-14(10-3-4-10)18-13-8-11(5-6-16-13)15(20)17-12-2-1-7-23(21,22)9-12/h5-6,8,10,12H,1-4,7,9H2,(H,17,20)(H,16,18,19)
InChIKeyFSWMJMMMCAXFHH-UHFFFAOYSA-N
XLogP0.74
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[(3R)-1,1-dioxothian-3-yl]benzamide
CID 95264332
N-(1,1-dioxothian-3-yl)-4-hydroxybenzamide
CID 63921781
N-(1,1-dioxothiolan-3-yl)-2-(2-ethylanilino)pyridine-4-carboxamide
CID 109173265
2-(cyclopropanecarbonylamino)-N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-4-carboxamide
CID 138989575
2-(cyclopropanecarbonylamino)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl)pyridine-4-carboxamide
CID 136558498
3-cyano-N-(1,1-dioxothian-3-yl)benzamide
CID 63922155
N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 63922749
2-(cyclopropanecarbonylamino)-N-[2-(furan-2-carbonylamino)ethyl]pyridine-4-carboxamide
CID 138989560
N-(1,1-dioxothiolan-3-yl)-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172781
4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077860
N-(1,1-dioxothiolan-3-yl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081063
3-amino-4,5-dichloro-N-(1,1-dioxothian-3-yl)benzamide
CID 63924264

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-(1,1-dioxothian-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-(1,1-dioxothian-3-yl)pyridine-4-carboxamide (CID 136541956) is 2-(cyclopropanecarbonylamino)-N-(1,1-dioxothian-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-(1,1-dioxothian-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-(1,1-dioxothian-3-yl)pyridine-4-carboxamide is O=C(NC1CCCS(=O)(=O)C1)c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-(1,1-dioxothian-3-yl)pyridine-4-carboxamide?
The InChIKey is FSWMJMMMCAXFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c19-14(10-3-4-10)18-13-8-11(5-6-16-13)15(20)17-12-2-1-7-23(21,22)9-12/h5-6,8,10,12H,1-4,7,9H2,(H,17,20)(H,16,18,19).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-(1,1-dioxothian-3-yl)pyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-(1,1-dioxothian-3-yl)pyridine-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-(1,1-dioxothian-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 136541956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).