7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide

C19H19N3O3 — CID 99715119

IUPAC7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N[C@@H]3CCN(c4ccccn4)C3)oc12
InChIInChI=1S/C19H19N3O3/c1-24-15-6-4-5-13-11-16(25-18(13)15)19(23)21-14-8-10-22(12-14)17-7-2-3-9-20-17/h2-7,9,11,14H,8,10,12H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyOYICJDVMKGEVAO-CQSZACIVSA-N
MW337.38 g/mol
LogP2.85
Rot. Bonds4

About 7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide

7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 99715119) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
PubChem CID99715119
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N[C@@H]3CCN(c4ccccn4)C3)oc12
InChIInChI=1S/C19H19N3O3/c1-24-15-6-4-5-13-11-16(25-18(13)15)19(23)21-14-8-10-22(12-14)17-7-2-3-9-20-17/h2-7,9,11,14H,8,10,12H2,1H3,(H,21,23)/t14-/m1/s1
InChIKeyOYICJDVMKGEVAO-CQSZACIVSA-N
XLogP2.85
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-N-[1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 119104873
7-methoxy-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 91817853
7-methoxy-N-[(1R,5S)-3-pyrimidin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]-1-benzofuran-2-carboxamide
CID 154876248
7-methoxy-N-methyl-N-(1-pyridin-2-ylazetidin-3-yl)-1-benzofuran-2-carboxamide
CID 146078999
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697550
7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 136666518
7-methoxy-N-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 78867681
5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide
CID 99697078
N-[1-(3-methoxy-2-pyridinyl)piperidin-4-yl]-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
CID 59636782
3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
CID 90621378
7-methoxy-2-methyl-N-(1-pyridin-2-ylpiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 166192029
2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide
CID 90621231

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide (CID 99715119) is 7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)N[C@@H]3CCN(c4ccccn4)C3)oc12.
What is the InChIKey of 7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
The InChIKey is OYICJDVMKGEVAO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-15-6-4-5-13-11-16(25-18(13)15)19(23)21-14-8-10-22(12-14)17-7-2-3-9-20-17/h2-7,9,11,14H,8,10,12H2,1H3,(H,21,23)/t14-/m1/s1.
What are the key properties of 7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 99715119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).