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

C26H29N3O3 — CID 117078758

IUPACN-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3ccncc3)cc1OCCN(C)C)CO2
InChIInChI=1S/C26H29N3O3/c1-18-4-7-24-21(14-18)15-22(17-32-24)26(30)28-23-6-5-20(19-8-10-27-11-9-19)16-25(23)31-13-12-29(2)3/h4-11,14,16,22H,12-13,15,17H2,1-3H3,(H,28,30)
InChIKeyAGRVRDSFRWARJF-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.19
Rot. Bonds7

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

N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 117078758) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID117078758
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3ccncc3)cc1OCCN(C)C)CO2
InChIInChI=1S/C26H29N3O3/c1-18-4-7-24-21(14-18)15-22(17-32-24)26(30)28-23-6-5-20(19-8-10-27-11-9-19)16-25(23)31-13-12-29(2)3/h4-11,14,16,22H,12-13,15,17H2,1-3H3,(H,28,30)
InChIKeyAGRVRDSFRWARJF-UHFFFAOYSA-N
XLogP4.19
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.19
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-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 117078758) is N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide is Cc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3ccncc3)cc1OCCN(C)C)CO2.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is AGRVRDSFRWARJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-18-4-7-24-21(14-18)15-22(17-32-24)26(30)28-23-6-5-20(19-8-10-27-11-9-19)16-25(23)31-13-12-29(2)3/h4-11,14,16,22H,12-13,15,17H2,1-3H3,(H,28,30).
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.19, 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-methyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 117078758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).