N-[5-[5-[(Z)-1-ethenoxyprop-1-enyl]-2-methylphenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide

C23H22N2O2S — CID 70324208

IUPACN-[5-[5-[(Z)-1-ethenoxyprop-1-enyl]-2-methylphenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide
SMILESC=CO/C(=C\C)c1ccc(C)c(-c2ccc(NC(=O)c3ccncc3C)s2)c1
InChIInChI=1S/C23H22N2O2S/c1-5-20(27-6-2)17-8-7-15(3)19(13-17)21-9-10-22(28-21)25-23(26)18-11-12-24-14-16(18)4/h5-14H,2H2,1,3-4H3,(H,25,26)/b20-5-
InChIKeyCMMGGDBYPUMLSC-SDPNRITHSA-N
MW390.51 g/mol
LogP6.20
Rot. Bonds6

About N-[5-[5-[(Z)-1-ethenoxyprop-1-enyl]-2-methylphenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide

N-[5-[5-[(Z)-1-ethenoxyprop-1-enyl]-2-methylphenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide (PubChem CID 70324208) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[5-[5-[(Z)-1-ethenoxyprop-1-enyl]-2-methylphenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[(Z)-1-ethenoxyprop-1-enyl]-2-methylphenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide
PubChem CID70324208
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC NameN-[5-[5-[(Z)-1-ethenoxyprop-1-enyl]-2-methylphenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide
SMILESC=CO/C(=C\C)c1ccc(C)c(-c2ccc(NC(=O)c3ccncc3C)s2)c1
InChIInChI=1S/C23H22N2O2S/c1-5-20(27-6-2)17-8-7-15(3)19(13-17)21-9-10-22(28-21)25-23(26)18-11-12-24-14-16(18)4/h5-14H,2H2,1,3-4H3,(H,25,26)/b20-5-
InChIKeyCMMGGDBYPUMLSC-SDPNRITHSA-N
XLogP6.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-[5-[2-chloro-5-[(Z)-1-ethenoxyprop-1-enyl]phenyl]thiophen-2-yl]-3-fluoropyridine-4-carboxamide
CID 70323825
3-fluoro-N-[5-[2-methyl-5-[(1Z)-1-sulfanylbuta-1,3-dienyl]phenyl]thiophen-2-yl]pyridine-4-carboxamide
CID 143270391
ethenyl 3-[5-[(3-fluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate
CID 70323331
3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide
CID 143518217
N-(4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110858696
3,5-dimethoxy-N-[5-([1,3]thiazolo[4,5-c]pyridin-2-yl)thiophen-2-yl]benzamide
CID 59680300
ethenyl 3-[5-[(3,5-difluoropyridine-4-carbonyl)amino]pyrazin-2-yl]-N,4-dimethylbenzenecarboximidate
CID 70320031
N-[4-[5-[(E)-1-ethyliminobut-2-en-2-yl]-3-methylthiophen-2-yl]phenyl]-3-methylpyridine-4-carboxamide
CID 143518152
N-(2-cyanoethyl)-3-methylpyridine-4-carboxamide
CID 130174525
4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271010
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
3-methyl-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-2-pyridinyl]pyridine-4-carboxamide
CID 25177362

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(Z)-1-ethenoxyprop-1-enyl]-2-methylphenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide?
The IUPAC name of N-[5-[5-[(Z)-1-ethenoxyprop-1-enyl]-2-methylphenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide (CID 70324208) is N-[5-[5-[(Z)-1-ethenoxyprop-1-enyl]-2-methylphenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[5-[5-[(Z)-1-ethenoxyprop-1-enyl]-2-methylphenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide?
The canonical SMILES for N-[5-[5-[(Z)-1-ethenoxyprop-1-enyl]-2-methylphenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide is C=CO/C(=C\C)c1ccc(C)c(-c2ccc(NC(=O)c3ccncc3C)s2)c1.
What is the InChIKey of N-[5-[5-[(Z)-1-ethenoxyprop-1-enyl]-2-methylphenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide?
The InChIKey is CMMGGDBYPUMLSC-SDPNRITHSA-N. The full InChI is InChI=1S/C23H22N2O2S/c1-5-20(27-6-2)17-8-7-15(3)19(13-17)21-9-10-22(28-21)25-23(26)18-11-12-24-14-16(18)4/h5-14H,2H2,1,3-4H3,(H,25,26)/b20-5-.
What are the key properties of N-[5-[5-[(Z)-1-ethenoxyprop-1-enyl]-2-methylphenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide?
N-[5-[5-[(Z)-1-ethenoxyprop-1-enyl]-2-methylphenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 6.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(Z)-1-ethenoxyprop-1-enyl]-2-methylphenyl]thiophen-2-yl]-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 70324208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).