2-(2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide

C21H21N3O4 — CID 36752372

IUPAC2-(2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C21H21N3O4/c25-20(14-27-17-5-3-16-4-6-21(26)28-18(16)12-17)23-13-15-7-8-22-19(11-15)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10,13-14H2,(H,23,25)
InChIKeyZVBJXSCQVAQOBX-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.48
Rot. Bonds6

About 2-(2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide

2-(2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide (PubChem CID 36752372) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
PubChem CID36752372
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-(2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C21H21N3O4/c25-20(14-27-17-5-3-16-4-6-21(26)28-18(16)12-17)23-13-15-7-8-22-19(11-15)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10,13-14H2,(H,23,25)
InChIKeyZVBJXSCQVAQOBX-UHFFFAOYSA-N
XLogP2.48
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 52557964
2-(2-oxochromen-7-yl)oxy-N-[[4-(phenoxymethyl)phenyl]methyl]acetamide
CID 39503721
N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide
CID 46401405
N-[3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide
CID 55954154
2-(2-methyl-5-propan-2-ylphenoxy)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 55534225
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 87041237
N-(6-morpholin-4-yl-3-pyridinyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 34442404
2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119447724
2-(2-methoxyethylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide;dihydrochloride
CID 119841580
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 56524279
methyl 3-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 46515110

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide (CID 36752372) is 2-(2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide is O=C(COc1ccc2ccc(=O)oc2c1)NCc1ccnc(N2CCCC2)c1.
What is the InChIKey of 2-(2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide?
The InChIKey is ZVBJXSCQVAQOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c25-20(14-27-17-5-3-16-4-6-21(26)28-18(16)12-17)23-13-15-7-8-22-19(11-15)24-9-1-2-10-24/h3-8,11-12H,1-2,9-10,13-14H2,(H,23,25).
What are the key properties of 2-(2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide?
2-(2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide has a molecular weight of 379.42 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-7-yl)oxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 36752372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).