N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide

C20H20N2O4 — CID 171388910

IUPACN-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide
SMILESCc1cnccc1CN(C)C(=O)C(C)Oc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C20H20N2O4/c1-13-11-21-9-8-16(13)12-22(3)20(24)14(2)25-17-6-4-15-5-7-19(23)26-18(15)10-17/h4-11,14H,12H2,1-3H3
InChIKeyHLGGUMWLRGAPSZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.92
Rot. Bonds5

About N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide

N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide (PubChem CID 171388910) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide
PubChem CID171388910
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide
SMILESCc1cnccc1CN(C)C(=O)C(C)Oc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C20H20N2O4/c1-13-11-21-9-8-16(13)12-22(3)20(24)14(2)25-17-6-4-15-5-7-19(23)26-18(15)10-17/h4-11,14H,12H2,1-3H3
InChIKeyHLGGUMWLRGAPSZ-UHFFFAOYSA-N
XLogP2.92
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-benzyl-N-methyl-2-(2-oxochromen-7-yl)oxypropanamide
CID 7564420
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 171911612
(2-oxochromen-7-yl) 2-methylpropanoate
CID 10966364
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 171389849
(2-oxochromen-7-yl) (2S)-2-(3-methylphenoxy)propanoate
CID 7920894
(2R)-2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 95212791
2-(2,3-dichlorophenoxy)-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]propanamide
CID 119037053
(2R)-N-carbamoyl-2-(2-oxochromen-7-yl)oxypropanamide
CID 7233690
N-(2,4-dimethylphenyl)-2-(2-oxochromen-7-yl)oxypropanamide
CID 42888911
7-[1-oxo-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]propan-2-yl]oxychromen-2-one
CID 171388634
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 171907889
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxypropanamide
CID 7564685

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide?
The IUPAC name of N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide (CID 171388910) is N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide.
What is the SMILES notation for N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide?
The canonical SMILES for N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide is Cc1cnccc1CN(C)C(=O)C(C)Oc1ccc2ccc(=O)oc2c1.
What is the InChIKey of N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide?
The InChIKey is HLGGUMWLRGAPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13-11-21-9-8-16(13)12-22(3)20(24)14(2)25-17-6-4-15-5-7-19(23)26-18(15)10-17/h4-11,14H,12H2,1-3H3.
What are the key properties of N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide?
N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide has a molecular weight of 352.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxypropanamide is sourced from PubChem (CID 171388910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).