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

C25H29N5O3 — CID 44571681

IUPAC6-N-[2-(dimethylamino)ethyl]-6-N-methyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide
SMILESCN(C)CCN(C)C(=O)c1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2
InChIInChI=1S/C25H29N5O3/c1-29(2)10-11-30(3)25(32)18-6-9-23-19(12-18)13-20(16-33-23)24(31)28-22-7-4-17(5-8-22)21-14-26-27-15-21/h4-9,12,14-15,20H,10-11,13,16H2,1-3H3,(H,26,27)(H,28,31)
InChIKeyWFPIXXHOAALQOF-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.90
Rot. Bonds7

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

6-N-[2-(dimethylamino)ethyl]-6-N-methyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide (PubChem CID 44571681) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 6-N-[2-(dimethylamino)ethyl]-6-N-methyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide.

Molecular Properties

Compound Name6-N-[2-(dimethylamino)ethyl]-6-N-methyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide
PubChem CID44571681
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name6-N-[2-(dimethylamino)ethyl]-6-N-methyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide
SMILESCN(C)CCN(C)C(=O)c1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2
InChIInChI=1S/C25H29N5O3/c1-29(2)10-11-30(3)25(32)18-6-9-23-19(12-18)13-20(16-33-23)24(31)28-22-7-4-17(5-8-22)21-14-26-27-15-21/h4-9,12,14-15,20H,10-11,13,16H2,1-3H3,(H,26,27)(H,28,31)
InChIKeyWFPIXXHOAALQOF-UHFFFAOYSA-N
XLogP2.90
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(dimethylamino)ethyl]-6-N-methyl-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]-6-N-methyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide (CID 44571681) is 6-N-[2-(dimethylamino)ethyl]-6-N-methyl-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]-6-N-methyl-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]-6-N-methyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide is CN(C)CCN(C)C(=O)c1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2.
What is the InChIKey of 6-N-[2-(dimethylamino)ethyl]-6-N-methyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide?
The InChIKey is WFPIXXHOAALQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-29(2)10-11-30(3)25(32)18-6-9-23-19(12-18)13-20(16-33-23)24(31)28-22-7-4-17(5-8-22)21-14-26-27-15-21/h4-9,12,14-15,20H,10-11,13,16H2,1-3H3,(H,26,27)(H,28,31).
What are the key properties of 6-N-[2-(dimethylamino)ethyl]-6-N-methyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide?
6-N-[2-(dimethylamino)ethyl]-6-N-methyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(dimethylamino)ethyl]-6-N-methyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide is sourced from PubChem (CID 44571681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).