(2S)-2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(pyridin-4-ylmethyl)propanamide

C22H18N2O4 — CID 7583820

IUPAC(2S)-2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
SMILESC[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)NCc1ccncc1
InChIInChI=1S/C22H18N2O4/c1-14(21(25)24-13-15-8-10-23-11-9-15)27-16-6-7-18-17-4-2-3-5-19(17)22(26)28-20(18)12-16/h2-12,14H,13H2,1H3,(H,24,25)/t14-/m0/s1
InChIKeyZGNOQTWEPRYDEB-AWEZNQCLSA-N
MW374.40 g/mol
LogP3.42
Rot. Bonds5

About (2S)-2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(pyridin-4-ylmethyl)propanamide

(2S)-2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 7583820) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is (2S)-2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
PubChem CID7583820
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name(2S)-2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
SMILESC[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)NCc1ccncc1
InChIInChI=1S/C22H18N2O4/c1-14(21(25)24-13-15-8-10-23-11-9-15)27-16-6-7-18-17-4-2-3-5-19(17)22(26)28-20(18)12-16/h2-12,14H,13H2,1H3,(H,24,25)/t14-/m0/s1
InChIKeyZGNOQTWEPRYDEB-AWEZNQCLSA-N
XLogP3.42
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(pyridin-4-ylmethyl)propanamide
CID 7583822
2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-4-ylmethyl)propanamide
CID 4974634
(2S)-N-(3-imidazol-1-ylpropyl)-2-(6-oxobenzo[c]chromen-3-yl)oxypropanamide
CID 40512539
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240
3-[(2S)-3-oxobutan-2-yl]oxybenzo[c]chromen-6-one
CID 914972
2-(4-methylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 6490042
(2S)-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide
CID 7596370
(2R)-2-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 1083198
2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 53286403
(2R)-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 7580834
N-benzyl-2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 171617266
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)propanamide
CID 4904334

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(pyridin-4-ylmethyl)propanamide (CID 7583820) is (2S)-2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(pyridin-4-ylmethyl)propanamide is C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)NCc1ccncc1.
What is the InChIKey of (2S)-2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is ZGNOQTWEPRYDEB-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-14(21(25)24-13-15-8-10-23-11-9-15)27-16-6-7-18-17-4-2-3-5-19(17)22(26)28-20(18)12-16/h2-12,14H,13H2,1H3,(H,24,25)/t14-/m0/s1.
What are the key properties of (2S)-2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(pyridin-4-ylmethyl)propanamide?
(2S)-2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 374.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-oxobenzo[c]chromen-3-yl)oxy-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 7583820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).