4-[(S)-[(3R)-3-methyl-4-oxo-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide

C23H20N2O4 — CID 156871240

IUPAC4-[(S)-[(3R)-3-methyl-4-oxo-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide
SMILESC[C@@H]1COc2cc(O[C@H](c3ccncc3)c3ccc(C(N)=O)cc3)ccc2C1=O
InChIInChI=1S/C23H20N2O4/c1-14-13-28-20-12-18(6-7-19(20)21(14)26)29-22(16-8-10-25-11-9-16)15-2-4-17(5-3-15)23(24)27/h2-12,14,22H,13H2,1H3,(H2,24,27)/t14-,22+/m1/s1
InChIKeyTXBCYWLRKPMLEZ-PEBXRYMYSA-N
MW388.42 g/mol
LogP3.56
Rot. Bonds5

About 4-[(S)-[(3R)-3-methyl-4-oxo-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide

4-[(S)-[(3R)-3-methyl-4-oxo-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide (PubChem CID 156871240) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-[(S)-[(3R)-3-methyl-4-oxo-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide.

Molecular Properties

Compound Name4-[(S)-[(3R)-3-methyl-4-oxo-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide
PubChem CID156871240
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name4-[(S)-[(3R)-3-methyl-4-oxo-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide
SMILESC[C@@H]1COc2cc(O[C@H](c3ccncc3)c3ccc(C(N)=O)cc3)ccc2C1=O
InChIInChI=1S/C23H20N2O4/c1-14-13-28-20-12-18(6-7-19(20)21(14)26)29-22(16-8-10-25-11-9-16)15-2-4-17(5-3-15)23(24)27/h2-12,14,22H,13H2,1H3,(H2,24,27)/t14-,22+/m1/s1
InChIKeyTXBCYWLRKPMLEZ-PEBXRYMYSA-N
XLogP3.56
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(S)-[(3R)-3-methyl-4-oxo-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide with MolForge

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Related Compounds

7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one
CID 156870805
4-[(4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]naphthalene-1-carboxamide
CID 156870979
4-[(8-ethynyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide
CID 156870962
7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one
CID 156870991
4-[(R)-[4-oxo-8-(4-phenylphenyl)-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide
CID 166783375
(3R)-7-fluoro-3-methyl-2,3-dihydrochromen-4-one
CID 97050179
(3R)-3-bromo-7-(difluoromethoxy)-2,3-dihydrochromen-4-one
CID 177204677
(3-methyl-4-oxo-2,3-dihydrochromen-6-yl) 2-methylprop-2-enoate
CID 163852622
4-[(R)-(2,6-dimethyl-4-pyridinyl)-[(8-iodo-4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzamide
CID 175856789
4-[(R)-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile
CID 175856798
2-[(3-oxo-1-benzofuran-6-yl)oxy]butanamide
CID 63095013
7-[(1S,3Z,5E)-6-hydroxy-2-methylidene-1-pyridin-4-ylhepta-3,5-dienoxy]-2,3-dihydrochromen-4-one
CID 170181649

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-[(3R)-3-methyl-4-oxo-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide?
The IUPAC name of 4-[(S)-[(3R)-3-methyl-4-oxo-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide (CID 156871240) is 4-[(S)-[(3R)-3-methyl-4-oxo-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide.
What is the SMILES notation for 4-[(S)-[(3R)-3-methyl-4-oxo-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide?
The canonical SMILES for 4-[(S)-[(3R)-3-methyl-4-oxo-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide is C[C@@H]1COc2cc(O[C@H](c3ccncc3)c3ccc(C(N)=O)cc3)ccc2C1=O.
What is the InChIKey of 4-[(S)-[(3R)-3-methyl-4-oxo-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide?
The InChIKey is TXBCYWLRKPMLEZ-PEBXRYMYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-14-13-28-20-12-18(6-7-19(20)21(14)26)29-22(16-8-10-25-11-9-16)15-2-4-17(5-3-15)23(24)27/h2-12,14,22H,13H2,1H3,(H2,24,27)/t14-,22+/m1/s1.
What are the key properties of 4-[(S)-[(3R)-3-methyl-4-oxo-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide?
4-[(S)-[(3R)-3-methyl-4-oxo-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide has a molecular weight of 388.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-[(3R)-3-methyl-4-oxo-2,3-dihydrochromen-7-yl]oxy-pyridin-4-ylmethyl]benzamide is sourced from PubChem (CID 156871240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).