5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)furan-3-carboxamide

C24H22ClN5O3 — CID 66749495

IUPAC5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)furan-3-carboxamide
SMILESCC(=O)Nc1cc(-c2cc(C(=O)NCCn3ccnc3)c(-c3ccccc3Cl)o2)c(C)cn1
InChIInChI=1S/C24H22ClN5O3/c1-15-13-28-22(29-16(2)31)12-18(15)21-11-19(23(33-21)17-5-3-4-6-20(17)25)24(32)27-8-10-30-9-7-26-14-30/h3-7,9,11-14H,8,10H2,1-2H3,(H,27,32)(H,28,29,31)
InChIKeyLAUDYTQCAJJUKB-UHFFFAOYSA-N
MW463.93 g/mol
LogP4.56
Rot. Bonds7

About 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)furan-3-carboxamide

5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)furan-3-carboxamide (PubChem CID 66749495) has the molecular formula C24H22ClN5O3 and a molecular weight of 463.93 g/mol. Its IUPAC name is 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)furan-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)furan-3-carboxamide
PubChem CID66749495
Molecular FormulaC24H22ClN5O3
Molecular Weight463.93 g/mol
Exact Mass463.14
IUPAC Name5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)furan-3-carboxamide
SMILESCC(=O)Nc1cc(-c2cc(C(=O)NCCn3ccnc3)c(-c3ccccc3Cl)o2)c(C)cn1
InChIInChI=1S/C24H22ClN5O3/c1-15-13-28-22(29-16(2)31)12-18(15)21-11-19(23(33-21)17-5-3-4-6-20(17)25)24(32)27-8-10-30-9-7-26-14-30/h3-7,9,11-14H,8,10H2,1-2H3,(H,27,32)(H,28,29,31)
InChIKeyLAUDYTQCAJJUKB-UHFFFAOYSA-N
XLogP4.56
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-propan-2-ylfuran-3-carboxamide
CID 67776725
2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 67776016
2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 49319130
5-(2-chlorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 75378536
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
2,3-dichloro-N-(4-imidazol-1-ylbutyl)benzamide
CID 47068478
5-amino-N-(2-imidazol-1-ylethyl)-2,4-dimethylbenzamide
CID 102705336
1-[(4-chloro-3-methylphenyl)methyl]-3-(2-imidazol-1-ylethyl)urea
CID 75521301
6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide
CID 47142380
5-chloro-N-(2-imidazol-1-ylethyl)-2-nitrobenzamide
CID 60630197
3-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 66463625
4-chloro-N-(2-imidazol-1-ylethyl)benzamide
CID 47019718

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)furan-3-carboxamide?
The IUPAC name of 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)furan-3-carboxamide (CID 66749495) is 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)furan-3-carboxamide.
What is the SMILES notation for 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)furan-3-carboxamide?
The canonical SMILES for 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)furan-3-carboxamide is CC(=O)Nc1cc(-c2cc(C(=O)NCCn3ccnc3)c(-c3ccccc3Cl)o2)c(C)cn1.
What is the InChIKey of 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)furan-3-carboxamide?
The InChIKey is LAUDYTQCAJJUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3/c1-15-13-28-22(29-16(2)31)12-18(15)21-11-19(23(33-21)17-5-3-4-6-20(17)25)24(32)27-8-10-30-9-7-26-14-30/h3-7,9,11-14H,8,10H2,1-2H3,(H,27,32)(H,28,29,31).
What are the key properties of 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)furan-3-carboxamide?
5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)furan-3-carboxamide has a molecular weight of 463.93 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)furan-3-carboxamide is sourced from PubChem (CID 66749495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).