N-[2-methoxy-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide

C27H27N3O4 — CID 38662274

IUPACN-[2-methoxy-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C27H27N3O4/c1-16(2)21-13-22-19(15-34-24(22)10-17(21)3)11-26(31)29-20-7-8-23(25(12-20)33-4)30-27(32)18-6-5-9-28-14-18/h5-10,12-16H,11H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyWZRHIENYXHSJHJ-UHFFFAOYSA-N
MW457.53 g/mol
LogP5.70
Rot. Bonds7

About N-[2-methoxy-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide

N-[2-methoxy-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 38662274) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[2-methoxy-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
PubChem CID38662274
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC NameN-[2-methoxy-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C27H27N3O4/c1-16(2)21-13-22-19(15-34-24(22)10-17(21)3)11-26(31)29-20-7-8-23(25(12-20)33-4)30-27(32)18-6-5-9-28-14-18/h5-10,12-16H,11H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyWZRHIENYXHSJHJ-UHFFFAOYSA-N
XLogP5.70
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 38661253
N-(4-chlorophenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3952241
N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 38661659
N-[2-methoxy-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]pyridine-3-carboxamide
CID 33491810
N-[3-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39678884
N-[4-(carbamoylamino)phenyl]-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 33150978
N-[2-methoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]pyridine-3-carboxamide
CID 33497824
N-[4-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 38660436
N-[2-methoxy-4-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119845814
methyl 5-acetyl-2-[2-[3-methoxy-4-(pyridine-3-carbonylamino)anilino]-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate
CID 55671110
N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 119845805
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetate
CID 35974381

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-methoxy-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide (CID 38662274) is N-[2-methoxy-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methoxy-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide is COc1cc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-methoxy-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is WZRHIENYXHSJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-16(2)21-13-22-19(15-34-24(22)10-17(21)3)11-26(31)29-20-7-8-23(25(12-20)33-4)30-27(32)18-6-5-9-28-14-18/h5-10,12-16H,11H2,1-4H3,(H,29,31)(H,30,32).
What are the key properties of N-[2-methoxy-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide?
N-[2-methoxy-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 5.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[[2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetyl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 38662274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).