N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-[1-hydroxy-2-(2-oxo-1H-pyridin-4-yl)ethyl]furo[3,2-b]pyridin-5-yl]acetamide

C31H29N3O4 — CID 71246445

IUPACN-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-[1-hydroxy-2-(2-oxo-1H-pyridin-4-yl)ethyl]furo[3,2-b]pyridin-5-yl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc3oc(C(O)Cc4cc[nH]c(=O)c4)cc3n2)c2ccccc2)c(C)c1
InChIInChI=1S/C31H29N3O4/c1-19-8-10-24(20(2)14-19)31(22-6-4-3-5-7-22)34-30(37)17-23-9-11-27-25(33-23)18-28(38-27)26(35)15-21-12-13-32-29(36)16-21/h3-14,16,18,26,31,35H,15,17H2,1-2H3,(H,32,36)(H,34,37)
InChIKeyLJMAPMBQHFOYSB-UHFFFAOYSA-N
MW507.59 g/mol
LogP4.86
Rot. Bonds8

About N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-[1-hydroxy-2-(2-oxo-1H-pyridin-4-yl)ethyl]furo[3,2-b]pyridin-5-yl]acetamide

N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-[1-hydroxy-2-(2-oxo-1H-pyridin-4-yl)ethyl]furo[3,2-b]pyridin-5-yl]acetamide (PubChem CID 71246445) has the molecular formula C31H29N3O4 and a molecular weight of 507.59 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-[1-hydroxy-2-(2-oxo-1H-pyridin-4-yl)ethyl]furo[3,2-b]pyridin-5-yl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-[1-hydroxy-2-(2-oxo-1H-pyridin-4-yl)ethyl]furo[3,2-b]pyridin-5-yl]acetamide
PubChem CID71246445
Molecular FormulaC31H29N3O4
Molecular Weight507.59 g/mol
Exact Mass507.22
IUPAC NameN-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-[1-hydroxy-2-(2-oxo-1H-pyridin-4-yl)ethyl]furo[3,2-b]pyridin-5-yl]acetamide
SMILESCc1ccc(C(NC(=O)Cc2ccc3oc(C(O)Cc4cc[nH]c(=O)c4)cc3n2)c2ccccc2)c(C)c1
InChIInChI=1S/C31H29N3O4/c1-19-8-10-24(20(2)14-19)31(22-6-4-3-5-7-22)34-30(37)17-23-9-11-27-25(33-23)18-28(38-27)26(35)15-21-12-13-32-29(36)16-21/h3-14,16,18,26,31,35H,15,17H2,1-2H3,(H,32,36)(H,34,37)
InChIKeyLJMAPMBQHFOYSB-UHFFFAOYSA-N
XLogP4.86
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.59
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(R)-(3,5-dimethyl-1,2-oxazol-4-yl)-hydroxymethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 171370077
2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxyethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 78046380
4-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[5-[2-[[(2,4-dimethylphenyl)-phenylmethyl]amino]-2-oxoethyl]-1-benzofuran-2-yl]butanoic acid
CID 71247317
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-difluoromethyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 71247492
2-[2-[(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 71247130
2-[2-[(R)-(2-amino-2-methylpropoxy)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(S)-(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 71247255
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[2-(2-methyl-3-pyridinyl)ethoxy]phenyl]acetamide
CID 71494462
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[4-[(3-methyl-4-pyridinyl)methoxy]phenyl]acetamide
CID 90186375
2-[2-[(3-aminoazetidin-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 71246732
2-(4-methylphenyl)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 93487393
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(iodoamino)azetidin-1-yl]methyl]-1-benzofuran-5-yl]-N-[(2,4-dimethylphenyl)-phenylmethyl]acetamide
CID 89404499
N-[(4-chloro-2-methylphenyl)-phenylmethyl]-2-[2-(6-methyl-3,4-dihydropyridin-5-yl)-1,3-benzoxazol-5-yl]acetamide
CID 123797708

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-[1-hydroxy-2-(2-oxo-1H-pyridin-4-yl)ethyl]furo[3,2-b]pyridin-5-yl]acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-[1-hydroxy-2-(2-oxo-1H-pyridin-4-yl)ethyl]furo[3,2-b]pyridin-5-yl]acetamide (CID 71246445) is N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-[1-hydroxy-2-(2-oxo-1H-pyridin-4-yl)ethyl]furo[3,2-b]pyridin-5-yl]acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-[1-hydroxy-2-(2-oxo-1H-pyridin-4-yl)ethyl]furo[3,2-b]pyridin-5-yl]acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-[1-hydroxy-2-(2-oxo-1H-pyridin-4-yl)ethyl]furo[3,2-b]pyridin-5-yl]acetamide is Cc1ccc(C(NC(=O)Cc2ccc3oc(C(O)Cc4cc[nH]c(=O)c4)cc3n2)c2ccccc2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-[1-hydroxy-2-(2-oxo-1H-pyridin-4-yl)ethyl]furo[3,2-b]pyridin-5-yl]acetamide?
The InChIKey is LJMAPMBQHFOYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O4/c1-19-8-10-24(20(2)14-19)31(22-6-4-3-5-7-22)34-30(37)17-23-9-11-27-25(33-23)18-28(38-27)26(35)15-21-12-13-32-29(36)16-21/h3-14,16,18,26,31,35H,15,17H2,1-2H3,(H,32,36)(H,34,37).
What are the key properties of N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-[1-hydroxy-2-(2-oxo-1H-pyridin-4-yl)ethyl]furo[3,2-b]pyridin-5-yl]acetamide?
N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-[1-hydroxy-2-(2-oxo-1H-pyridin-4-yl)ethyl]furo[3,2-b]pyridin-5-yl]acetamide has a molecular weight of 507.59 g/mol, XLogP of 4.86, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)-phenylmethyl]-2-[2-[1-hydroxy-2-(2-oxo-1H-pyridin-4-yl)ethyl]furo[3,2-b]pyridin-5-yl]acetamide is sourced from PubChem (CID 71246445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).