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

C22H22N4O3 — CID 44571601

IUPAC6-N,6-N-dimethyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2
InChIInChI=1S/C22H22N4O3/c1-26(2)22(28)15-5-8-20-16(9-15)10-17(13-29-20)21(27)25-19-6-3-14(4-7-19)18-11-23-24-12-18/h3-9,11-12,17H,10,13H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyDGYVIVHGBHLFLV-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.97
Rot. Bonds4

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

6-N,6-N-dimethyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide (PubChem CID 44571601) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 6-N,6-N-dimethyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide.

Molecular Properties

Compound Name6-N,6-N-dimethyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide
PubChem CID44571601
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name6-N,6-N-dimethyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2
InChIInChI=1S/C22H22N4O3/c1-26(2)22(28)15-5-8-20-16(9-15)10-17(13-29-20)21(27)25-19-6-3-14(4-7-19)18-11-23-24-12-18/h3-9,11-12,17H,10,13H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyDGYVIVHGBHLFLV-UHFFFAOYSA-N
XLogP2.97
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dimethyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide?
The IUPAC name of 6-N,6-N-dimethyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide (CID 44571601) is 6-N,6-N-dimethyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide.
What is the SMILES notation for 6-N,6-N-dimethyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide?
The canonical SMILES for 6-N,6-N-dimethyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide is CN(C)C(=O)c1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)cc1)CO2.
What is the InChIKey of 6-N,6-N-dimethyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide?
The InChIKey is DGYVIVHGBHLFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-26(2)22(28)15-5-8-20-16(9-15)10-17(13-29-20)21(27)25-19-6-3-14(4-7-19)18-11-23-24-12-18/h3-9,11-12,17H,10,13H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of 6-N,6-N-dimethyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide?
6-N,6-N-dimethyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dimethyl-3-N-[4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3,6-dicarboxamide is sourced from PubChem (CID 44571601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).