2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide

C19H19N3O3 — CID 38854413

IUPAC2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESO=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C19H19N3O3/c23-18(11-16-14-5-1-2-6-15(14)19(24)25-16)21-13-7-8-17(20-12-13)22-9-3-4-10-22/h1-2,5-8,12,16H,3-4,9-11H2,(H,21,23)/t16-/m1/s1
InChIKeyFESROCPFQOLPRL-MRXNPFEDSA-N
MW337.38 g/mol
LogP2.92
Rot. Bonds4

About 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide

2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide (PubChem CID 38854413) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
PubChem CID38854413
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
SMILESO=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(N2CCCC2)nc1
InChIInChI=1S/C19H19N3O3/c23-18(11-16-14-5-1-2-6-15(14)19(24)25-16)21-13-7-8-17(20-12-13)22-9-3-4-10-22/h1-2,5-8,12,16H,3-4,9-11H2,(H,21,23)/t16-/m1/s1
InChIKeyFESROCPFQOLPRL-MRXNPFEDSA-N
XLogP2.92
TPSA71.53 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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide with MolForge

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Related Compounds

N-[6-(diethylamino)-3-pyridinyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 94002797
N-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 52868718
2-cyclopent-2-en-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 43041645
2-(2-bromophenyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 113009839
N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide
CID 113015896
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 24612254
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
CID 155391840
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
CID 155391842
2-(1,1-dioxothiolan-3-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 71943578
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide (CID 38854413) is 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide is O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
The InChIKey is FESROCPFQOLPRL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-18(11-16-14-5-1-2-6-15(14)19(24)25-16)21-13-7-8-17(20-12-13)22-9-3-4-10-22/h1-2,5-8,12,16H,3-4,9-11H2,(H,21,23)/t16-/m1/s1.
What are the key properties of 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide?
2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 38854413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).