N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-pyridin-4-ylacetamide

C22H25N3O3 — CID 110212852

IUPACN-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-pyridin-4-ylacetamide
SMILESCN1CCC2(CCC1=O)CC(NC(=O)Cc1ccncc1)c1ccccc1O2
InChIInChI=1S/C22H25N3O3/c1-25-13-10-22(9-6-21(25)27)15-18(17-4-2-3-5-19(17)28-22)24-20(26)14-16-7-11-23-12-8-16/h2-5,7-8,11-12,18H,6,9-10,13-15H2,1H3,(H,24,26)
InChIKeyKVDLIDFPOZIGLN-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.65
Rot. Bonds3

About N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-pyridin-4-ylacetamide

N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-pyridin-4-ylacetamide (PubChem CID 110212852) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-pyridin-4-ylacetamide
PubChem CID110212852
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-pyridin-4-ylacetamide
SMILESCN1CCC2(CCC1=O)CC(NC(=O)Cc1ccncc1)c1ccccc1O2
InChIInChI=1S/C22H25N3O3/c1-25-13-10-22(9-6-21(25)27)15-18(17-4-2-3-5-19(17)28-22)24-20(26)14-16-7-11-23-12-8-16/h2-5,7-8,11-12,18H,6,9-10,13-15H2,1H3,(H,24,26)
InChIKeyKVDLIDFPOZIGLN-UHFFFAOYSA-N
XLogP2.65
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 659939
CID 659939
CID 121363591
CID 121363591
CID 86764444
CID 86764444
CID 164615007
CID 164615007
CID 168280932
CID 168280932
CID 11211122
CID 11211122
CID 44254061
CID 44254061
CID 68321915
CID 68321915
CID 121363543
CID 121363543
CID 121363710
CID 121363710
CID 121363868
CID 121363868
CID 213672
CID 213672

Frequently Asked Questions

What is the IUPAC name of N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-pyridin-4-ylacetamide?
The IUPAC name of N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-pyridin-4-ylacetamide (CID 110212852) is N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-pyridin-4-ylacetamide is CN1CCC2(CCC1=O)CC(NC(=O)Cc1ccncc1)c1ccccc1O2.
What is the InChIKey of N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-pyridin-4-ylacetamide?
The InChIKey is KVDLIDFPOZIGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-25-13-10-22(9-6-21(25)27)15-18(17-4-2-3-5-19(17)28-22)24-20(26)14-16-7-11-23-12-8-16/h2-5,7-8,11-12,18H,6,9-10,13-15H2,1H3,(H,24,26).
What are the key properties of N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-pyridin-4-ylacetamide?
N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-pyridin-4-ylacetamide has a molecular weight of 379.46 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1'-methyl-2'-oxospiro[3,4-dihydrochromene-2,5'-azepane]-4-yl)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 110212852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).