5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(furan-2-ylmethyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-2-methoxyacetamide

C44H36Cl2N8O7 — CID 159355605

IUPAC5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(furan-2-ylmethyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-2-methoxyacetamide
SMILESCC(=O)Nc1cc(-c2cc(C(=O)NCc3ccco3)c(-c3ccccc3Cl)o2)c(C)cn1.COCC(=O)Nc1cc(-c2nc(-c3ncc[nH]3)c(-c3ccccc3Cl)o2)ccn1
InChIInChI=1S/C24H20ClN3O4.C20H16ClN5O3/c1-14-12-26-22(28-15(2)29)11-18(14)21-10-19(24(30)27-13-16-6-5-9-31-16)23(32-21)17-7-3-4-8-20(17)25;1-28-11-16(27)25-15-10-12(6-7-22-15)20-26-17(19-23-8-9-24-19)18(29-20)13-4-2-3-5-14(13)21/h3-12H,13H2,1-2H3,(H,27,30)(H,26,28,29);2-10H,11H2,1H3,(H,23,24)(H,22,25,27)
InChIKeyLHWNGCNXIPRVIK-UHFFFAOYSA-N
MW859.73 g/mol
LogP9.48
Rot. Bonds12

About 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(furan-2-ylmethyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-2-methoxyacetamide

5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(furan-2-ylmethyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-2-methoxyacetamide (PubChem CID 159355605) has the molecular formula C44H36Cl2N8O7 and a molecular weight of 859.73 g/mol. Its IUPAC name is 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(furan-2-ylmethyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-2-methoxyacetamide.

Molecular Properties

Compound Name5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(furan-2-ylmethyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-2-methoxyacetamide
PubChem CID159355605
Molecular FormulaC44H36Cl2N8O7
Molecular Weight859.73 g/mol
Exact Mass858.21
IUPAC Name5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(furan-2-ylmethyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-2-methoxyacetamide
SMILESCC(=O)Nc1cc(-c2cc(C(=O)NCc3ccco3)c(-c3ccccc3Cl)o2)c(C)cn1.COCC(=O)Nc1cc(-c2nc(-c3ncc[nH]3)c(-c3ccccc3Cl)o2)ccn1
InChIInChI=1S/C24H20ClN3O4.C20H16ClN5O3/c1-14-12-26-22(28-15(2)29)11-18(14)21-10-19(24(30)27-13-16-6-5-9-31-16)23(32-21)17-7-3-4-8-20(17)25;1-28-11-16(27)25-15-10-12(6-7-22-15)20-26-17(19-23-8-9-24-19)18(29-20)13-4-2-3-5-14(13)21/h3-12H,13H2,1-2H3,(H,27,30)(H,26,28,29);2-10H,11H2,1H3,(H,23,24)(H,22,25,27)
InChIKeyLHWNGCNXIPRVIK-UHFFFAOYSA-N
XLogP9.48
TPSA203.30 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500859.73
LogP ≤ 59.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(furan-2-ylmethyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-2-methoxyacetamide with MolForge

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Related Compounds

2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazol-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 67775949
2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 67776272
2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 67776668
2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 67952853
2-(2-amino-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(furan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 68056253
N-[3-[6-[(2-amino-2-methylpropyl)amino]-1H-imidazo[4,5-b]pyridin-2-yl]-4-chlorophenyl]furan-2-carboxamide;3-[4-chloro-3-[6-[[2-[(3S)-pyrrolidin-3-yl]acetyl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]furan-2-carboxamide
CID 90463534
N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-methoxypropanamide
CID 117645829
N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-3-methylbutanamide
CID 117645831
5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3-oxazole
CID 117645832
N-[4-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide
CID 117645835
N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]butanamide
CID 117645837
N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-2-methoxyacetamide
CID 117645840

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(furan-2-ylmethyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-2-methoxyacetamide?
The IUPAC name of 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(furan-2-ylmethyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-2-methoxyacetamide (CID 159355605) is 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(furan-2-ylmethyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-2-methoxyacetamide.
What is the SMILES notation for 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(furan-2-ylmethyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-2-methoxyacetamide?
The canonical SMILES for 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(furan-2-ylmethyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-2-methoxyacetamide is CC(=O)Nc1cc(-c2cc(C(=O)NCc3ccco3)c(-c3ccccc3Cl)o2)c(C)cn1.COCC(=O)Nc1cc(-c2nc(-c3ncc[nH]3)c(-c3ccccc3Cl)o2)ccn1.
What is the InChIKey of 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(furan-2-ylmethyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-2-methoxyacetamide?
The InChIKey is LHWNGCNXIPRVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O4.C20H16ClN5O3/c1-14-12-26-22(28-15(2)29)11-18(14)21-10-19(24(30)27-13-16-6-5-9-31-16)23(32-21)17-7-3-4-8-20(17)25;1-28-11-16(27)25-15-10-12(6-7-22-15)20-26-17(19-23-8-9-24-19)18(29-20)13-4-2-3-5-14(13)21/h3-12H,13H2,1-2H3,(H,27,30)(H,26,28,29);2-10H,11H2,1H3,(H,23,24)(H,22,25,27).
What are the key properties of 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(furan-2-ylmethyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-2-methoxyacetamide?
5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(furan-2-ylmethyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-2-methoxyacetamide has a molecular weight of 859.73 g/mol, XLogP of 9.48, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamido-5-methyl-4-pyridinyl)-2-(2-chlorophenyl)-N-(furan-2-ylmethyl)furan-3-carboxamide;N-[4-[5-(2-chlorophenyl)-4-(1H-imidazol-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]-2-methoxyacetamide is sourced from PubChem (CID 159355605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).