N-methyl-N-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide

C17H21N3O2S — CID 51088408

IUPACN-methyl-N-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide
SMILESCC(C)N(Cc1ccccn1)C(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C17H21N3O2S/c1-13(2)20(11-14-7-4-5-9-18-14)16(21)12-19(3)17(22)15-8-6-10-23-15/h4-10,13H,11-12H2,1-3H3
InChIKeyZEPZTGKTNFFXOL-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.65
Rot. Bonds6

About N-methyl-N-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide

N-methyl-N-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide (PubChem CID 51088408) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide
PubChem CID51088408
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-methyl-N-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide
SMILESCC(C)N(Cc1ccccn1)C(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C17H21N3O2S/c1-13(2)20(11-14-7-4-5-9-18-14)16(21)12-19(3)17(22)15-8-6-10-23-15/h4-10,13H,11-12H2,1-3H3
InChIKeyZEPZTGKTNFFXOL-UHFFFAOYSA-N
XLogP2.65
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(E)-2-pyridylmethyleneamino]thiophene-2-carboxamide
CID 9593589
N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide
CID 5236771
N-(4-Pyridinyl)-2-thiophenecarboxamide
CID 676266
N-hydroxy-5-(pyridin-2-yl)thiophene-2-carboxamide
CID 10242569
2-Thiophenecarboxamide, N-3-pyridinyl-
CID 790407
5-(2-Pyridyl)thiophene-2-carboxamide
CID 2778719
4-Dimethylamino-1-(2-oxo-2-thiophen-2-yl-ethyl)-pyridinium
CID 24746845
N-[1-[(3-fluoroanilino)carbonyl]-2-(3-pyridinyl)vinyl]-2-thiophenecarboxamide
CID 5370237
N-[(E)-(5-methylthiophen-2-yl)methylideneamino]pyridine-2-carboxamide
CID 6878933
5-chloro-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 750373
Pyridine-2-carboxylic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 793915
N-(3-cyanothiophen-2-yl)picolinamide
CID 2525612

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide (CID 51088408) is N-methyl-N-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide is CC(C)N(Cc1ccccn1)C(=O)CN(C)C(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide?
The InChIKey is ZEPZTGKTNFFXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13(2)20(11-14-7-4-5-9-18-14)16(21)12-19(3)17(22)15-8-6-10-23-15/h4-10,13H,11-12H2,1-3H3.
What are the key properties of N-methyl-N-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide?
N-methyl-N-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[propan-2-yl(pyridin-2-ylmethyl)amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 51088408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).