N-[[1-[4-(2-hydroxy-2H-pyridin-1-yl)phenyl]imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide

C21H20N4O2S — CID 163683076

IUPACN-[[1-[4-(2-hydroxy-2H-pyridin-1-yl)phenyl]imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cn(-c3ccc(N4C=CC=CC4O)cc3)cn2)s1
InChIInChI=1S/C21H20N4O2S/c1-15-5-10-19(28-15)21(27)22-12-16-13-24(14-23-16)17-6-8-18(9-7-17)25-11-3-2-4-20(25)26/h2-11,13-14,20,26H,12H2,1H3,(H,22,27)
InChIKeyJMLUVRKYJPKDLT-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.38
Rot. Bonds5

About N-[[1-[4-(2-hydroxy-2H-pyridin-1-yl)phenyl]imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide

N-[[1-[4-(2-hydroxy-2H-pyridin-1-yl)phenyl]imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide (PubChem CID 163683076) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[[1-[4-(2-hydroxy-2H-pyridin-1-yl)phenyl]imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[4-(2-hydroxy-2H-pyridin-1-yl)phenyl]imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide
PubChem CID163683076
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-[[1-[4-(2-hydroxy-2H-pyridin-1-yl)phenyl]imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cn(-c3ccc(N4C=CC=CC4O)cc3)cn2)s1
InChIInChI=1S/C21H20N4O2S/c1-15-5-10-19(28-15)21(27)22-12-16-13-24(14-23-16)17-6-8-18(9-7-17)25-11-3-2-4-20(25)26/h2-11,13-14,20,26H,12H2,1H3,(H,22,27)
InChIKeyJMLUVRKYJPKDLT-UHFFFAOYSA-N
XLogP3.38
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[[1-[4-[2-(cyanoamino)-2H-pyridin-1-yl]phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 87222115
5-chloro-N-[[1-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
CID 24986898
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide;methane
CID 159457229
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]thiophene-2-carboxamide
CID 39855027
N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 62502316
4-hydroxy-1-[4-[4-[3-(5-methylthiophen-2-yl)-3-oxopropyl]imidazol-1-yl]phenyl]pyridin-2-one
CID 161344645
N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide
CID 37239302
N-[[1-(4-amino-2-fluorophenyl)imidazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 69236234
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 52553185
5-methyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 27839113
N-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide
CID 42479714
5-methyl-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]thiophene-2-carboxamide
CID 18107585

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(2-hydroxy-2H-pyridin-1-yl)phenyl]imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[[1-[4-(2-hydroxy-2H-pyridin-1-yl)phenyl]imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide (CID 163683076) is N-[[1-[4-(2-hydroxy-2H-pyridin-1-yl)phenyl]imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[1-[4-(2-hydroxy-2H-pyridin-1-yl)phenyl]imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[1-[4-(2-hydroxy-2H-pyridin-1-yl)phenyl]imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCc2cn(-c3ccc(N4C=CC=CC4O)cc3)cn2)s1.
What is the InChIKey of N-[[1-[4-(2-hydroxy-2H-pyridin-1-yl)phenyl]imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is JMLUVRKYJPKDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-15-5-10-19(28-15)21(27)22-12-16-13-24(14-23-16)17-6-8-18(9-7-17)25-11-3-2-4-20(25)26/h2-11,13-14,20,26H,12H2,1H3,(H,22,27).
What are the key properties of N-[[1-[4-(2-hydroxy-2H-pyridin-1-yl)phenyl]imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide?
N-[[1-[4-(2-hydroxy-2H-pyridin-1-yl)phenyl]imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(2-hydroxy-2H-pyridin-1-yl)phenyl]imidazol-4-yl]methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 163683076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).