N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide

C17H19N5O4S — CID 16881584

IUPACN-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2csc(NC(=O)c3ccc[nH]c3=O)n2)CC1
InChIInChI=1S/C17H19N5O4S/c18-14(24)10-3-6-22(7-4-10)13(23)8-11-9-27-17(20-11)21-16(26)12-2-1-5-19-15(12)25/h1-2,5,9-10H,3-4,6-8H2,(H2,18,24)(H,19,25)(H,20,21,26)
InChIKeyDTPDGJSVPCXADS-UHFFFAOYSA-N
MW389.44 g/mol
LogP0.35
Rot. Bonds5

About N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide

N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 16881584) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID16881584
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC NameN-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2csc(NC(=O)c3ccc[nH]c3=O)n2)CC1
InChIInChI=1S/C17H19N5O4S/c18-14(24)10-3-6-22(7-4-10)13(23)8-11-9-27-17(20-11)21-16(26)12-2-1-5-19-15(12)25/h1-2,5,9-10H,3-4,6-8H2,(H2,18,24)(H,19,25)(H,20,21,26)
InChIKeyDTPDGJSVPCXADS-UHFFFAOYSA-N
XLogP0.35
TPSA138.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 16881584) is N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide is NC(=O)C1CCN(C(=O)Cc2csc(NC(=O)c3ccc[nH]c3=O)n2)CC1.
What is the InChIKey of N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is DTPDGJSVPCXADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c18-14(24)10-3-6-22(7-4-10)13(23)8-11-9-27-17(20-11)21-16(26)12-2-1-5-19-15(12)25/h1-2,5,9-10H,3-4,6-8H2,(H2,18,24)(H,19,25)(H,20,21,26).
What are the key properties of N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 16881584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).