6-N-[2-(dimethylamino)ethyl]-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide

C24H27N5O3 — CID 44571470

IUPAC6-N-[2-(dimethylamino)ethyl]-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide
SMILESCN(C)CCNC(=O)c1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2
InChIInChI=1S/C24H27N5O3/c1-29(2)10-9-25-23(30)17-5-8-22-18(11-17)12-19(15-32-22)24(31)28-21-6-3-16(4-7-21)20-13-26-27-14-20/h3-8,11,13-14,19H,9-10,12,15H2,1-2H3,(H,25,30)(H,26,27)(H,28,31)
InChIKeyWDXLEIFOYAQNAO-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.56
Rot. Bonds7

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

6-N-[2-(dimethylamino)ethyl]-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide (PubChem CID 44571470) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 6-N-[2-(dimethylamino)ethyl]-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[2-(dimethylamino)ethyl]-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide
PubChem CID44571470
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name6-N-[2-(dimethylamino)ethyl]-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide
SMILESCN(C)CCNC(=O)c1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2
InChIInChI=1S/C24H27N5O3/c1-29(2)10-9-25-23(30)17-5-8-22-18(11-17)12-19(15-32-22)24(31)28-21-6-3-16(4-7-21)20-13-26-27-14-20/h3-8,11,13-14,19H,9-10,12,15H2,1-2H3,(H,25,30)(H,26,27)(H,28,31)
InChIKeyWDXLEIFOYAQNAO-UHFFFAOYSA-N
XLogP2.56
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(dimethylamino)ethyl]-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide?
The IUPAC name of 6-N-[2-(dimethylamino)ethyl]-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide (CID 44571470) is 6-N-[2-(dimethylamino)ethyl]-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide.
What is the SMILES notation for 6-N-[2-(dimethylamino)ethyl]-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide?
The canonical SMILES for 6-N-[2-(dimethylamino)ethyl]-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide is CN(C)CCNC(=O)c1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2.
What is the InChIKey of 6-N-[2-(dimethylamino)ethyl]-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide?
The InChIKey is WDXLEIFOYAQNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-29(2)10-9-25-23(30)17-5-8-22-18(11-17)12-19(15-32-22)24(31)28-21-6-3-16(4-7-21)20-13-26-27-14-20/h3-8,11,13-14,19H,9-10,12,15H2,1-2H3,(H,25,30)(H,26,27)(H,28,31).
What are the key properties of 6-N-[2-(dimethylamino)ethyl]-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide?
6-N-[2-(dimethylamino)ethyl]-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(dimethylamino)ethyl]-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide is sourced from PubChem (CID 44571470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).