N-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide

C21H21N3O2S — CID 86852084

IUPACN-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(C)c(NC(=O)c3ccncc3)c2)sc1C
InChIInChI=1S/C21H21N3O2S/c1-4-15-11-19(27-14(15)3)21(26)23-17-6-5-13(2)18(12-17)24-20(25)16-7-9-22-10-8-16/h5-12H,4H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyGWIUWTPWVKPPLM-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.83
Rot. Bonds5

About N-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide

N-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide (PubChem CID 86852084) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide
PubChem CID86852084
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(C)c(NC(=O)c3ccncc3)c2)sc1C
InChIInChI=1S/C21H21N3O2S/c1-4-15-11-19(27-14(15)3)21(26)23-17-6-5-13(2)18(12-17)24-20(25)16-7-9-22-10-8-16/h5-12H,4H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyGWIUWTPWVKPPLM-UHFFFAOYSA-N
XLogP4.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-4-ethyl-5-methylthiophene-2-carboxamide
CID 26909368
N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide
CID 46761053
5-methyl-4-propyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 27699944
N-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide
CID 86852098
N-[5-[(3,5-dimethylfuran-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide
CID 122146668
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pyridine-4-carboxamide
CID 39193427
4-ethyl-N-(3-fluorophenyl)-5-methylthiophene-2-carboxamide
CID 9412427
N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 4828452
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-fluorobenzoic acid
CID 103791536
N-(3-benzamido-4-methylphenyl)pyridine-3-carboxamide
CID 6486649
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of N-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide (CID 86852084) is N-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide is CCc1cc(C(=O)Nc2ccc(C)c(NC(=O)c3ccncc3)c2)sc1C.
What is the InChIKey of N-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide?
The InChIKey is GWIUWTPWVKPPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-4-15-11-19(27-14(15)3)21(26)23-17-6-5-13(2)18(12-17)24-20(25)16-7-9-22-10-8-16/h5-12H,4H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of N-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide?
N-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 86852084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).