N-[5-[[4-[(6-oxo-1H-pyridin-3-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C17H20N4O2S — CID 129251725

IUPACN-[5-[[4-[(6-oxo-1H-pyridin-3-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(=O)[nH]c3)CC2)s1
InChIInChI=1S/C17H20N4O2S/c1-12(22)20-17-19-10-15(24-17)11-21-6-4-13(5-7-21)8-14-2-3-16(23)18-9-14/h2-3,8-10H,4-7,11H2,1H3,(H,18,23)(H,19,20,22)
InChIKeyWELJFAFWZSRQSH-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.47
Rot. Bonds4

About N-[5-[[4-[(6-oxo-1H-pyridin-3-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[4-[(6-oxo-1H-pyridin-3-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 129251725) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[5-[[4-[(6-oxo-1H-pyridin-3-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[(6-oxo-1H-pyridin-3-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID129251725
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[5-[[4-[(6-oxo-1H-pyridin-3-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(=Cc3ccc(=O)[nH]c3)CC2)s1
InChIInChI=1S/C17H20N4O2S/c1-12(22)20-17-19-10-15(24-17)11-21-6-4-13(5-7-21)8-14-2-3-16(23)18-9-14/h2-3,8-10H,4-7,11H2,1H3,(H,18,23)(H,19,20,22)
InChIKeyWELJFAFWZSRQSH-UHFFFAOYSA-N
XLogP2.47
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[(6-oxo-1H-pyridin-3-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-[(6-oxo-1H-pyridin-3-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 129251725) is N-[5-[[4-[(6-oxo-1H-pyridin-3-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-[(6-oxo-1H-pyridin-3-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-[(6-oxo-1H-pyridin-3-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(=Cc3ccc(=O)[nH]c3)CC2)s1.
What is the InChIKey of N-[5-[[4-[(6-oxo-1H-pyridin-3-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is WELJFAFWZSRQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12(22)20-17-19-10-15(24-17)11-21-6-4-13(5-7-21)8-14-2-3-16(23)18-9-14/h2-3,8-10H,4-7,11H2,1H3,(H,18,23)(H,19,20,22).
What are the key properties of N-[5-[[4-[(6-oxo-1H-pyridin-3-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-[(6-oxo-1H-pyridin-3-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 344.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[(6-oxo-1H-pyridin-3-yl)methylidene]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 129251725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).