N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide

C22H17N3O4 — CID 1227074

IUPACN-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C22H17N3O4/c1-28-19-12-16(24-21(26)15-6-4-10-23-13-15)8-9-17(19)25-22(27)20-11-14-5-2-3-7-18(14)29-20/h2-13H,1H3,(H,24,26)(H,25,27)
InChIKeyOGNDRUPSJFACQO-UHFFFAOYSA-N
MW387.40 g/mol
LogP4.34
Rot. Bonds5

About N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide

N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide (PubChem CID 1227074) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
PubChem CID1227074
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC NameN-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccnc2)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C22H17N3O4/c1-28-19-12-16(24-21(26)15-6-4-10-23-13-15)8-9-17(19)25-22(27)20-11-14-5-2-3-7-18(14)29-20/h2-13H,1H3,(H,24,26)(H,25,27)
InChIKeyOGNDRUPSJFACQO-UHFFFAOYSA-N
XLogP4.34
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide
CID 38661634
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016170
N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016176
N-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 2958483
N-[2-methoxy-4-[(2-phenylacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1349630
N-[2-methoxy-4-[(3-methoxybenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide
CID 1337055
N-[2-methoxy-4-[(2-nitrobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 3861071
N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 119845805
N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 1086001
N-[2-methoxy-4-(2-methylpropanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1256453
N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 43068293

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide (CID 1227074) is N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide is COc1cc(NC(=O)c2cccnc2)ccc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide?
The InChIKey is OGNDRUPSJFACQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c1-28-19-12-16(24-21(26)15-6-4-10-23-13-15)8-9-17(19)25-22(27)20-11-14-5-2-3-7-18(14)29-20/h2-13H,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide?
N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1227074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).