N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide

C14H16N2O2S — CID 110730380

IUPACN-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
SMILESCn1cccc(CNC(=O)CCc2cccs2)c1=O
InChIInChI=1S/C14H16N2O2S/c1-16-8-2-4-11(14(16)18)10-15-13(17)7-6-12-5-3-9-19-12/h2-5,8-9H,6-7,10H2,1H3,(H,15,17)
InChIKeyQQOLWZMVOVKJHL-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.70
Rot. Bonds5

About N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide

N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 110730380) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
PubChem CID110730380
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
SMILESCn1cccc(CNC(=O)CCc2cccs2)c1=O
InChIInChI=1S/C14H16N2O2S/c1-16-8-2-4-11(14(16)18)10-15-13(17)7-6-12-5-3-9-19-12/h2-5,8-9H,6-7,10H2,1H3,(H,15,17)
InChIKeyQQOLWZMVOVKJHL-UHFFFAOYSA-N
XLogP1.70
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methyl-2-oxo-3-pyridinyl)methyl]pentanamide
CID 110730308
3-(3-fluorophenyl)-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]propanamide
CID 110730389
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-phenylacetamide
CID 110730343
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide
CID 37194009
N-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110641784
3-thiophen-2-yl-N-[(1,3,3-trimethyl-2-oxoindol-5-yl)methyl]propanamide
CID 110784091
N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570846
N'-methyl-3-thiophen-2-ylpropanehydrazide
CID 116846300
N'-(2-naphthalen-1-ylacetyl)-3-thiophen-2-ylpropanehydrazide
CID 42386767
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-(3-methylphenoxy)acetamide
CID 110730402
N-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110783577
N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570732

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide (CID 110730380) is N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide is Cn1cccc(CNC(=O)CCc2cccs2)c1=O.
What is the InChIKey of N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is QQOLWZMVOVKJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-16-8-2-4-11(14(16)18)10-15-13(17)7-6-12-5-3-9-19-12/h2-5,8-9H,6-7,10H2,1H3,(H,15,17).
What are the key properties of N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide?
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 276.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110730380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).