N-[4-[5-[(E)-1-ethyliminobut-2-en-2-yl]-3-methylthiophen-2-yl]phenyl]-3-methylpyridine-4-carboxamide

C24H25N3OS — CID 143518152

IUPACN-[4-[5-[(E)-1-ethyliminobut-2-en-2-yl]-3-methylthiophen-2-yl]phenyl]-3-methylpyridine-4-carboxamide
SMILESC/C=C(\C=N\CC)c1cc(C)c(-c2ccc(NC(=O)c3ccncc3C)cc2)s1
InChIInChI=1S/C24H25N3OS/c1-5-18(15-25-6-2)22-13-16(3)23(29-22)19-7-9-20(10-8-19)27-24(28)21-11-12-26-14-17(21)4/h5,7-15H,6H2,1-4H3,(H,27,28)/b18-5+,25-15+
InChIKeyKRZCEFOPHXMJHP-ZNUPUAMESA-N
MW403.55 g/mol
LogP6.17
Rot. Bonds6

About N-[4-[5-[(E)-1-ethyliminobut-2-en-2-yl]-3-methylthiophen-2-yl]phenyl]-3-methylpyridine-4-carboxamide

N-[4-[5-[(E)-1-ethyliminobut-2-en-2-yl]-3-methylthiophen-2-yl]phenyl]-3-methylpyridine-4-carboxamide (PubChem CID 143518152) has the molecular formula C24H25N3OS and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[4-[5-[(E)-1-ethyliminobut-2-en-2-yl]-3-methylthiophen-2-yl]phenyl]-3-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[(E)-1-ethyliminobut-2-en-2-yl]-3-methylthiophen-2-yl]phenyl]-3-methylpyridine-4-carboxamide
PubChem CID143518152
Molecular FormulaC24H25N3OS
Molecular Weight403.55 g/mol
Exact Mass403.17
IUPAC NameN-[4-[5-[(E)-1-ethyliminobut-2-en-2-yl]-3-methylthiophen-2-yl]phenyl]-3-methylpyridine-4-carboxamide
SMILESC/C=C(\C=N\CC)c1cc(C)c(-c2ccc(NC(=O)c3ccncc3C)cc2)s1
InChIInChI=1S/C24H25N3OS/c1-5-18(15-25-6-2)22-13-16(3)23(29-22)19-7-9-20(10-8-19)27-24(28)21-11-12-26-14-17(21)4/h5,7-15H,6H2,1-4H3,(H,27,28)/b18-5+,25-15+
InChIKeyKRZCEFOPHXMJHP-ZNUPUAMESA-N
XLogP6.17
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110858696
3-methyl-N-[4-(2-methyl-5-methylperoxythiophen-3-yl)phenyl]pyridine-4-carboxamide
CID 143518217
3-methyl-N-[5-[3-methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
CID 24876060
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
3-methyl-N-[4-[2-methyl-5-(1,3-oxazol-4-yl)phenyl]phenyl]pyridine-4-carboxamide
CID 11559715
3-methyl-N-[4-[2-methyl-5-(4H-triazol-5-yl)phenyl]phenyl]pyridine-4-carboxamide
CID 146926080
N-(4-ethylphenyl)-4-methylpyridine-3-carboxamide
CID 110857788
2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide
CID 107589959
3-[4-(dimethylamino)-3-[4-[(3-methylpyridine-4-carbonyl)amino]phenyl]phenoxy]propanoic acid
CID 11750484
4-[(3-hydroxypyridine-4-carbonyl)amino]-2-methylbenzoic acid
CID 81445783
N-[4-(3-chloro-6-methoxy-3,4-dihydropyridin-5-yl)phenyl]-3-methylpyridine-4-carboxamide
CID 143273458
methyl 4-[(4-methyl-5-phenylthiophene-2-carbonyl)amino]benzoate
CID 121238680

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(E)-1-ethyliminobut-2-en-2-yl]-3-methylthiophen-2-yl]phenyl]-3-methylpyridine-4-carboxamide?
The IUPAC name of N-[4-[5-[(E)-1-ethyliminobut-2-en-2-yl]-3-methylthiophen-2-yl]phenyl]-3-methylpyridine-4-carboxamide (CID 143518152) is N-[4-[5-[(E)-1-ethyliminobut-2-en-2-yl]-3-methylthiophen-2-yl]phenyl]-3-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-[5-[(E)-1-ethyliminobut-2-en-2-yl]-3-methylthiophen-2-yl]phenyl]-3-methylpyridine-4-carboxamide?
The canonical SMILES for N-[4-[5-[(E)-1-ethyliminobut-2-en-2-yl]-3-methylthiophen-2-yl]phenyl]-3-methylpyridine-4-carboxamide is C/C=C(\C=N\CC)c1cc(C)c(-c2ccc(NC(=O)c3ccncc3C)cc2)s1.
What is the InChIKey of N-[4-[5-[(E)-1-ethyliminobut-2-en-2-yl]-3-methylthiophen-2-yl]phenyl]-3-methylpyridine-4-carboxamide?
The InChIKey is KRZCEFOPHXMJHP-ZNUPUAMESA-N. The full InChI is InChI=1S/C24H25N3OS/c1-5-18(15-25-6-2)22-13-16(3)23(29-22)19-7-9-20(10-8-19)27-24(28)21-11-12-26-14-17(21)4/h5,7-15H,6H2,1-4H3,(H,27,28)/b18-5+,25-15+.
What are the key properties of N-[4-[5-[(E)-1-ethyliminobut-2-en-2-yl]-3-methylthiophen-2-yl]phenyl]-3-methylpyridine-4-carboxamide?
N-[4-[5-[(E)-1-ethyliminobut-2-en-2-yl]-3-methylthiophen-2-yl]phenyl]-3-methylpyridine-4-carboxamide has a molecular weight of 403.55 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(E)-1-ethyliminobut-2-en-2-yl]-3-methylthiophen-2-yl]phenyl]-3-methylpyridine-4-carboxamide is sourced from PubChem (CID 143518152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).