2,4-dimethoxy-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]benzamide

C23H22N2O4 — CID 66813447

IUPAC2,4-dimethoxy-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2COc3cccc(-c4ccncc4)c3C2)c(OC)c1
InChIInChI=1S/C23H22N2O4/c1-27-17-6-7-19(22(13-17)28-2)23(26)25-16-12-20-18(15-8-10-24-11-9-15)4-3-5-21(20)29-14-16/h3-11,13,16H,12,14H2,1-2H3,(H,25,26)/t16-/m0/s1
InChIKeyHKYBBQGISPGEAA-INIZCTEOSA-N
MW390.44 g/mol
LogP3.50
Rot. Bonds5

About 2,4-dimethoxy-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]benzamide

2,4-dimethoxy-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]benzamide (PubChem CID 66813447) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]benzamide
PubChem CID66813447
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2,4-dimethoxy-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2COc3cccc(-c4ccncc4)c3C2)c(OC)c1
InChIInChI=1S/C23H22N2O4/c1-27-17-6-7-19(22(13-17)28-2)23(26)25-16-12-20-18(15-8-10-24-11-9-15)4-3-5-21(20)29-14-16/h3-11,13,16H,12,14H2,1-2H3,(H,25,26)/t16-/m0/s1
InChIKeyHKYBBQGISPGEAA-INIZCTEOSA-N
XLogP3.50
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]benzamide (CID 66813447) is 2,4-dimethoxy-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]benzamide is COc1ccc(C(=O)N[C@@H]2COc3cccc(-c4ccncc4)c3C2)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]benzamide?
The InChIKey is HKYBBQGISPGEAA-INIZCTEOSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-27-17-6-7-19(22(13-17)28-2)23(26)25-16-12-20-18(15-8-10-24-11-9-15)4-3-5-21(20)29-14-16/h3-11,13,16H,12,14H2,1-2H3,(H,25,26)/t16-/m0/s1.
What are the key properties of 2,4-dimethoxy-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]benzamide?
2,4-dimethoxy-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]benzamide has a molecular weight of 390.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(3S)-5-pyridin-4-yl-3,4-dihydro-2H-chromen-3-yl]benzamide is sourced from PubChem (CID 66813447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).