2-(7-methyl-2-oxochromen-4-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

C22H22N2O4 — CID 171910173

IUPAC2-(7-methyl-2-oxochromen-4-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESCc1ccc2c(CC(=O)N[C@@H]3COC[C@H]3Cc3ccncc3)cc(=O)oc2c1
InChIInChI=1S/C22H22N2O4/c1-14-2-3-18-16(11-22(26)28-20(18)8-14)10-21(25)24-19-13-27-12-17(19)9-15-4-6-23-7-5-15/h2-8,11,17,19H,9-10,12-13H2,1H3,(H,24,25)/t17-,19-/m1/s1
InChIKeyIMVIRBLMCGHLJI-IEBWSBKVSA-N
MW378.43 g/mol
LogP2.41
Rot. Bonds5

About 2-(7-methyl-2-oxochromen-4-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

2-(7-methyl-2-oxochromen-4-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide (PubChem CID 171910173) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(7-methyl-2-oxochromen-4-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(7-methyl-2-oxochromen-4-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
PubChem CID171910173
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name2-(7-methyl-2-oxochromen-4-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
SMILESCc1ccc2c(CC(=O)N[C@@H]3COC[C@H]3Cc3ccncc3)cc(=O)oc2c1
InChIInChI=1S/C22H22N2O4/c1-14-2-3-18-16(11-22(26)28-20(18)8-14)10-21(25)24-19-13-27-12-17(19)9-15-4-6-23-7-5-15/h2-8,11,17,19H,9-10,12-13H2,1H3,(H,24,25)/t17-,19-/m1/s1
InChIKeyIMVIRBLMCGHLJI-IEBWSBKVSA-N
XLogP2.41
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-(2,4,6-trimethylphenyl)acetamide
CID 135103473
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134711727
2-(4-methylsulfonylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134711883
2-(3-methylphenoxy)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134699611
2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134711078
2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379
2-(4-propan-2-ylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134709594
3-methylsulfonyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 135100569
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135105074
4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
CID 134697099
1-(3,5-dimethylphenyl)-3-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]urea
CID 155919724
2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide
CID 40805355

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-2-oxochromen-4-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The IUPAC name of 2-(7-methyl-2-oxochromen-4-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide (CID 171910173) is 2-(7-methyl-2-oxochromen-4-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide.
What is the SMILES notation for 2-(7-methyl-2-oxochromen-4-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The canonical SMILES for 2-(7-methyl-2-oxochromen-4-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide is Cc1ccc2c(CC(=O)N[C@@H]3COC[C@H]3Cc3ccncc3)cc(=O)oc2c1.
What is the InChIKey of 2-(7-methyl-2-oxochromen-4-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
The InChIKey is IMVIRBLMCGHLJI-IEBWSBKVSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-14-2-3-18-16(11-22(26)28-20(18)8-14)10-21(25)24-19-13-27-12-17(19)9-15-4-6-23-7-5-15/h2-8,11,17,19H,9-10,12-13H2,1H3,(H,24,25)/t17-,19-/m1/s1.
What are the key properties of 2-(7-methyl-2-oxochromen-4-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide?
2-(7-methyl-2-oxochromen-4-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-2-oxochromen-4-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide is sourced from PubChem (CID 171910173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).