N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide

C19H16N4O5S — CID 16881559

IUPACN-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H16N4O5S/c24-16(21-11-3-4-14-15(8-11)28-7-6-27-14)9-12-10-29-19(22-12)23-18(26)13-2-1-5-20-17(13)25/h1-5,8,10H,6-7,9H2,(H,20,25)(H,21,24)(H,22,23,26)
InChIKeyPFJBOCDIKHVZSG-UHFFFAOYSA-N
MW412.43 g/mol
LogP2.04
Rot. Bonds5

About N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide

N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 16881559) has the molecular formula C19H16N4O5S and a molecular weight of 412.43 g/mol. Its IUPAC name is N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID16881559
Molecular FormulaC19H16N4O5S
Molecular Weight412.43 g/mol
Exact Mass412.08
IUPAC NameN-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H16N4O5S/c24-16(21-11-3-4-14-15(8-11)28-7-6-27-14)9-12-10-29-19(22-12)23-18(26)13-2-1-5-20-17(13)25/h1-5,8,10H,6-7,9H2,(H,20,25)(H,21,24)(H,22,23,26)
InChIKeyPFJBOCDIKHVZSG-UHFFFAOYSA-N
XLogP2.04
TPSA122.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 16881559) is N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide is O=C(Cc1csc(NC(=O)c2ccc[nH]c2=O)n1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is PFJBOCDIKHVZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5S/c24-16(21-11-3-4-14-15(8-11)28-7-6-27-14)9-12-10-29-19(22-12)23-18(26)13-2-1-5-20-17(13)25/h1-5,8,10H,6-7,9H2,(H,20,25)(H,21,24)(H,22,23,26).
What are the key properties of N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 412.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 16881559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).