5-[[2-(hydroxymethyl)-2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-3H-1-benzofuran-4-yl]oxy]-N,N-dimethylpyridine-2-carboxamide

C24H25N5O5 — CID 122178418

IUPAC5-[[2-(hydroxymethyl)-2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-3H-1-benzofuran-4-yl]oxy]-N,N-dimethylpyridine-2-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(C(=O)N(C)C)nc3)c3c(c2)OC(C)(CO)C3)cn1
InChIInChI=1S/C24H25N5O5/c1-14-10-27-21(12-25-14)28-22(31)15-7-19(17-9-24(2,13-30)34-20(17)8-15)33-16-5-6-18(26-11-16)23(32)29(3)4/h5-8,10-12,30H,9,13H2,1-4H3,(H,27,28,31)
InChIKeyPTZFDHDBIJFBGR-UHFFFAOYSA-N
MW463.49 g/mol
LogP2.61
Rot. Bonds6

About 5-[[2-(hydroxymethyl)-2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-3H-1-benzofuran-4-yl]oxy]-N,N-dimethylpyridine-2-carboxamide

5-[[2-(hydroxymethyl)-2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-3H-1-benzofuran-4-yl]oxy]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 122178418) has the molecular formula C24H25N5O5 and a molecular weight of 463.49 g/mol. Its IUPAC name is 5-[[2-(hydroxymethyl)-2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-3H-1-benzofuran-4-yl]oxy]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-(hydroxymethyl)-2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-3H-1-benzofuran-4-yl]oxy]-N,N-dimethylpyridine-2-carboxamide
PubChem CID122178418
Molecular FormulaC24H25N5O5
Molecular Weight463.49 g/mol
Exact Mass463.19
IUPAC Name5-[[2-(hydroxymethyl)-2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-3H-1-benzofuran-4-yl]oxy]-N,N-dimethylpyridine-2-carboxamide
SMILESCc1cnc(NC(=O)c2cc(Oc3ccc(C(=O)N(C)C)nc3)c3c(c2)OC(C)(CO)C3)cn1
InChIInChI=1S/C24H25N5O5/c1-14-10-27-21(12-25-14)28-22(31)15-7-19(17-9-24(2,13-30)34-20(17)8-15)33-16-5-6-18(26-11-16)23(32)29(3)4/h5-8,10-12,30H,9,13H2,1-4H3,(H,27,28,31)
InChIKeyPTZFDHDBIJFBGR-UHFFFAOYSA-N
XLogP2.61
TPSA126.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Azd-1656
CID 16039797
Pf-04937319
CID 46916694
N,N-dimethyl-5-(2-methyl-6-((5-methylpyrazin-2-yl)carbamoyl)benzofuran-4-yloxy)pyrazine-2-carboxamide
CID 46916741
3-[4-(Azetidin-1-ylcarbonyl)phenoxy]-5-[(1S)-2-hydroxy-1-methylethoxy]-N-(5-methylpyrazin-2-yl)benzamide
CID 11539903
3-{[6-(azetidin-1-ylcarbonyl)pyridin-3-yl]oxy}-5-{[(1S)-1-methyl-2-(methyloxy)ethyl]oxy}-N-(5-methylpyrazin-2-yl)benzamide
CID 16039834
N-ethyl-N-methyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyrazine-2-carboxamide
CID 59483313
4-[4-(Azetidine-1-carbonyl)-3-fluoro-phenoxy]-2-hydroxymethyl-2-methyl-2,3-dihydro-benzofuran-6-carboxylic acid (5-methyl-pyridin-2-yl)-amide
CID 59560375
N,N-dimethyl-5-[[2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-1-benzofuran-4-yl]oxy]pyridine-2-carboxamide
CID 90665740
4-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-2-methyl-N-(5-methylpyrazin-2-yl)-1-benzofuran-6-carboxamide
CID 90665743
2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide
CID 90665744
2-methyl-N-(5-methylpyrazin-2-yl)-4-[5-(piperidine-1-carbonyl)pyrazin-2-yl]oxy-1-benzofuran-6-carboxamide
CID 90665745
2-methyl-4-[5-(3-methylazetidine-1-carbonyl)pyrazin-2-yl]oxy-N-pyrazin-2-yl-1-benzofuran-6-carboxamide
CID 90665746

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(hydroxymethyl)-2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-3H-1-benzofuran-4-yl]oxy]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[[2-(hydroxymethyl)-2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-3H-1-benzofuran-4-yl]oxy]-N,N-dimethylpyridine-2-carboxamide (CID 122178418) is 5-[[2-(hydroxymethyl)-2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-3H-1-benzofuran-4-yl]oxy]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-(hydroxymethyl)-2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-3H-1-benzofuran-4-yl]oxy]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[[2-(hydroxymethyl)-2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-3H-1-benzofuran-4-yl]oxy]-N,N-dimethylpyridine-2-carboxamide is Cc1cnc(NC(=O)c2cc(Oc3ccc(C(=O)N(C)C)nc3)c3c(c2)OC(C)(CO)C3)cn1.
What is the InChIKey of 5-[[2-(hydroxymethyl)-2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-3H-1-benzofuran-4-yl]oxy]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is PTZFDHDBIJFBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5/c1-14-10-27-21(12-25-14)28-22(31)15-7-19(17-9-24(2,13-30)34-20(17)8-15)33-16-5-6-18(26-11-16)23(32)29(3)4/h5-8,10-12,30H,9,13H2,1-4H3,(H,27,28,31).
What are the key properties of 5-[[2-(hydroxymethyl)-2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-3H-1-benzofuran-4-yl]oxy]-N,N-dimethylpyridine-2-carboxamide?
5-[[2-(hydroxymethyl)-2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-3H-1-benzofuran-4-yl]oxy]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(hydroxymethyl)-2-methyl-6-[(5-methylpyrazin-2-yl)carbamoyl]-3H-1-benzofuran-4-yl]oxy]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 122178418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).