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

C25H26ClN3O3 — CID 117078751

IUPAC6-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(C)CCOc1cc(-c2ccncc2)ccc1NC(=O)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C25H26ClN3O3/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)
InChIKeyKNLNXBWYAOCAOU-UHFFFAOYSA-N
MW451.95 g/mol
LogP4.53
Rot. Bonds7

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

6-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 117078751) has the molecular formula C25H26ClN3O3 and a molecular weight of 451.95 g/mol. Its IUPAC name is 6-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID117078751
Molecular FormulaC25H26ClN3O3
Molecular Weight451.95 g/mol
Exact Mass451.17
IUPAC Name6-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN(C)CCOc1cc(-c2ccncc2)ccc1NC(=O)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C25H26ClN3O3/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)
InChIKeyKNLNXBWYAOCAOU-UHFFFAOYSA-N
XLogP4.53
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.95
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 117078751) is 6-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide is CN(C)CCOc1cc(-c2ccncc2)ccc1NC(=O)C1COc2ccc(Cl)cc2C1.
What is the InChIKey of 6-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is KNLNXBWYAOCAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3/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 6-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 451.95 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 117078751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).