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

C26H29N3O4 — CID 58310563

IUPACN-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3ccncc3)cc1OCCN(C)C)CO2
InChIInChI=1S/C26H29N3O4/c1-29(2)12-13-32-25-16-19(18-8-10-27-11-9-18)4-6-23(25)28-26(30)21-14-20-15-22(31-3)5-7-24(20)33-17-21/h4-11,15-16,21H,12-14,17H2,1-3H3,(H,28,30)
InChIKeyMGSFSBWPBXVAEQ-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.89
Rot. Bonds8

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

N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 58310563) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID58310563
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3ccncc3)cc1OCCN(C)C)CO2
InChIInChI=1S/C26H29N3O4/c1-29(2)12-13-32-25-16-19(18-8-10-27-11-9-18)4-6-23(25)28-26(30)21-14-20-15-22(31-3)5-7-24(20)33-17-21/h4-11,15-16,21H,12-14,17H2,1-3H3,(H,28,30)
InChIKeyMGSFSBWPBXVAEQ-UHFFFAOYSA-N
XLogP3.89
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 58310563) is N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(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-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is MGSFSBWPBXVAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-29(2)12-13-32-25-16-19(18-8-10-27-11-9-18)4-6-23(25)28-26(30)21-14-20-15-22(31-3)5-7-24(20)33-17-21/h4-11,15-16,21H,12-14,17H2,1-3H3,(H,28,30).
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 58310563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).