6-oxo-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide

C16H18N4O3S — CID 27378491

IUPAC6-oxo-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1nc(CCC(=O)N2CCCC2)cs1)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H18N4O3S/c21-13-5-3-11(9-17-13)15(23)19-16-18-12(10-24-16)4-6-14(22)20-7-1-2-8-20/h3,5,9-10H,1-2,4,6-8H2,(H,17,21)(H,18,19,23)
InChIKeySXCRREOTPPQIDS-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.64
Rot. Bonds5

About 6-oxo-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide

6-oxo-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide (PubChem CID 27378491) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 6-oxo-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
PubChem CID27378491
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name6-oxo-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1nc(CCC(=O)N2CCCC2)cs1)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H18N4O3S/c21-13-5-3-11(9-17-13)15(23)19-16-18-12(10-24-16)4-6-14(22)20-7-1-2-8-20/h3,5,9-10H,1-2,4,6-8H2,(H,17,21)(H,18,19,23)
InChIKeySXCRREOTPPQIDS-UHFFFAOYSA-N
XLogP1.64
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide (CID 27378491) is 6-oxo-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide is O=C(Nc1nc(CCC(=O)N2CCCC2)cs1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide?
The InChIKey is SXCRREOTPPQIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c21-13-5-3-11(9-17-13)15(23)19-16-18-12(10-24-16)4-6-14(22)20-7-1-2-8-20/h3,5,9-10H,1-2,4,6-8H2,(H,17,21)(H,18,19,23).
What are the key properties of 6-oxo-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide?
6-oxo-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazol-2-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 27378491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).