N-(4-methyl-2-oxochromen-7-yl)-2-(2-pyridin-2-ylethylamino)acetamide

C19H19N3O3 — CID 134144958

IUPACN-(4-methyl-2-oxochromen-7-yl)-2-(2-pyridin-2-ylethylamino)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CNCCc3ccccn3)ccc12
InChIInChI=1S/C19H19N3O3/c1-13-10-19(24)25-17-11-15(5-6-16(13)17)22-18(23)12-20-9-7-14-4-2-3-8-21-14/h2-6,8,10-11,20H,7,9,12H2,1H3,(H,22,23)
InChIKeyYBPYTUVVBKVPCV-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.27
Rot. Bonds6

About N-(4-methyl-2-oxochromen-7-yl)-2-(2-pyridin-2-ylethylamino)acetamide

N-(4-methyl-2-oxochromen-7-yl)-2-(2-pyridin-2-ylethylamino)acetamide (PubChem CID 134144958) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-2-(2-pyridin-2-ylethylamino)acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-2-(2-pyridin-2-ylethylamino)acetamide
PubChem CID134144958
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-2-(2-pyridin-2-ylethylamino)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CNCCc3ccccn3)ccc12
InChIInChI=1S/C19H19N3O3/c1-13-10-19(24)25-17-11-15(5-6-16(13)17)22-18(23)12-20-9-7-14-4-2-3-8-21-14/h2-6,8,10-11,20H,7,9,12H2,1H3,(H,22,23)
InChIKeyYBPYTUVVBKVPCV-UHFFFAOYSA-N
XLogP2.27
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
2-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 19166972
N-(4-methyl-2-oxochromen-7-yl)-2-naphthalen-2-ylacetamide
CID 26878478
N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 172659008
N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide
CID 18170333
N-(4-methyl-2-oxochromen-7-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 171911797
N-(3-chloro-4-methylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999138
N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
CID 53393956
6-acetamido-N-(4-methyl-2-oxochromen-7-yl)hexanamide
CID 10758804
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
N-(4-methyl-2-oxochromen-7-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 17488318
N-(4-methyl-2-oxochromen-7-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 16580683

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-(2-pyridin-2-ylethylamino)acetamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-(2-pyridin-2-ylethylamino)acetamide (CID 134144958) is N-(4-methyl-2-oxochromen-7-yl)-2-(2-pyridin-2-ylethylamino)acetamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-2-(2-pyridin-2-ylethylamino)acetamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-2-(2-pyridin-2-ylethylamino)acetamide is Cc1cc(=O)oc2cc(NC(=O)CNCCc3ccccn3)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-2-(2-pyridin-2-ylethylamino)acetamide?
The InChIKey is YBPYTUVVBKVPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-10-19(24)25-17-11-15(5-6-16(13)17)22-18(23)12-20-9-7-14-4-2-3-8-21-14/h2-6,8,10-11,20H,7,9,12H2,1H3,(H,22,23).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-2-(2-pyridin-2-ylethylamino)acetamide?
N-(4-methyl-2-oxochromen-7-yl)-2-(2-pyridin-2-ylethylamino)acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-2-(2-pyridin-2-ylethylamino)acetamide is sourced from PubChem (CID 134144958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).