N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide

C25H26FN3O3 — CID 58310712

IUPACN-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(C)CCOc1cc(-c2ccncc2)ccc1NC(=O)C1COc2ccc(F)cc2C1
InChIInChI=1S/C25H26FN3O3/c1-29(2)11-12-31-24-15-18(17-7-9-27-10-8-17)3-5-22(24)28-25(30)20-13-19-14-21(26)4-6-23(19)32-16-20/h3-10,14-15,20H,11-13,16H2,1-2H3,(H,28,30)
InChIKeyMLSJLNVTEFJNLQ-UHFFFAOYSA-N
MW435.50 g/mol
LogP4.02
Rot. Bonds7

About N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide

N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 58310712) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID58310712
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(C)CCOc1cc(-c2ccncc2)ccc1NC(=O)C1COc2ccc(F)cc2C1
InChIInChI=1S/C25H26FN3O3/c1-29(2)11-12-31-24-15-18(17-7-9-27-10-8-17)3-5-22(24)28-25(30)20-13-19-14-21(26)4-6-23(19)32-16-20/h3-10,14-15,20H,11-13,16H2,1-2H3,(H,28,30)
InChIKeyMLSJLNVTEFJNLQ-UHFFFAOYSA-N
XLogP4.02
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide (CID 58310712) is N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide is CN(C)CCOc1cc(-c2ccncc2)ccc1NC(=O)C1COc2ccc(F)cc2C1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is MLSJLNVTEFJNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-29(2)11-12-31-24-15-18(17-7-9-27-10-8-17)3-5-22(24)28-25(30)20-13-19-14-21(26)4-6-23(19)32-16-20/h3-10,14-15,20H,11-13,16H2,1-2H3,(H,28,30).
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide?
N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 435.50 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 58310712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).