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

C24H28N4O3 — CID 44571779

IUPACN-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCCN(C)C)CO2
InChIInChI=1S/C24H28N4O3/c1-16-4-7-22-18(10-16)11-19(15-31-22)24(29)27-21-6-5-17(20-13-25-26-14-20)12-23(21)30-9-8-28(2)3/h4-7,10,12-14,19H,8-9,11,15H2,1-3H3,(H,25,26)(H,27,29)
InChIKeyKPTLLDAXZGPLSV-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.52
Rot. Bonds7

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

N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 44571779) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID44571779
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCCN(C)C)CO2
InChIInChI=1S/C24H28N4O3/c1-16-4-7-22-18(10-16)11-19(15-31-22)24(29)27-21-6-5-17(20-13-25-26-14-20)12-23(21)30-9-8-28(2)3/h4-7,10,12-14,19H,8-9,11,15H2,1-3H3,(H,25,26)(H,27,29)
InChIKeyKPTLLDAXZGPLSV-UHFFFAOYSA-N
XLogP3.52
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide (CID 44571779) is N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide is Cc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCCN(C)C)CO2.
What is the InChIKey of N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is KPTLLDAXZGPLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16-4-7-22-18(10-16)11-19(15-31-22)24(29)27-21-6-5-17(20-13-25-26-14-20)12-23(21)30-9-8-28(2)3/h4-7,10,12-14,19H,8-9,11,15H2,1-3H3,(H,25,26)(H,27,29).
What are the key properties of N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide?
N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-6-methyl-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 44571779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).