N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide

C26H29N3O5 — CID 58310687

IUPACN-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCOCCN(C)C(=O)c1ccc2c(c1)CC(C(=O)Cc1ccc(-c3cn[nH]c3)cc1OC)CO2
InChIInChI=1S/C26H29N3O5/c1-29(8-9-32-2)26(31)19-6-7-24-20(10-19)11-21(16-34-24)23(30)12-18-5-4-17(13-25(18)33-3)22-14-27-28-15-22/h4-7,10,13-15,21H,8-9,11-12,16H2,1-3H3,(H,27,28)
InChIKeyHYAJQLAMIYWREE-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.17
Rot. Bonds9

About N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide

N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 58310687) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID58310687
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC NameN-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCOCCN(C)C(=O)c1ccc2c(c1)CC(C(=O)Cc1ccc(-c3cn[nH]c3)cc1OC)CO2
InChIInChI=1S/C26H29N3O5/c1-29(8-9-32-2)26(31)19-6-7-24-20(10-19)11-21(16-34-24)23(30)12-18-5-4-17(13-25(18)33-3)22-14-27-28-15-22/h4-7,10,13-15,21H,8-9,11-12,16H2,1-3H3,(H,27,28)
InChIKeyHYAJQLAMIYWREE-UHFFFAOYSA-N
XLogP3.17
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide (CID 58310687) is N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide is COCCN(C)C(=O)c1ccc2c(c1)CC(C(=O)Cc1ccc(-c3cn[nH]c3)cc1OC)CO2.
What is the InChIKey of N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is HYAJQLAMIYWREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-29(8-9-32-2)26(31)19-6-7-24-20(10-19)11-21(16-34-24)23(30)12-18-5-4-17(13-25(18)33-3)22-14-27-28-15-22/h4-7,10,13-15,21H,8-9,11-12,16H2,1-3H3,(H,27,28).
What are the key properties of N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide?
N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[2-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]acetyl]-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 58310687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).