N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide

C16H19N3O3S — CID 154844672

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2nc3c(s2)COCC3)cc(=O)[nH]1
InChIInChI=1S/C16H19N3O3S/c1-9(2)12-5-10(6-14(20)18-12)16(21)17-7-15-19-11-3-4-22-8-13(11)23-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyYOHFDFVNGYAANK-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.96
Rot. Bonds4

About N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide (PubChem CID 154844672) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide
PubChem CID154844672
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2nc3c(s2)COCC3)cc(=O)[nH]1
InChIInChI=1S/C16H19N3O3S/c1-9(2)12-5-10(6-14(20)18-12)16(21)17-7-15-19-11-3-4-22-8-13(11)23-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyYOHFDFVNGYAANK-UHFFFAOYSA-N
XLogP1.96
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide (CID 154844672) is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide is CC(C)c1cc(C(=O)NCc2nc3c(s2)COCC3)cc(=O)[nH]1.
What is the InChIKey of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide?
The InChIKey is YOHFDFVNGYAANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-9(2)12-5-10(6-14(20)18-12)16(21)17-7-15-19-11-3-4-22-8-13(11)23-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide?
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide is sourced from PubChem (CID 154844672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).