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

C21H21N3O4 — CID 44571471

IUPAC6-methoxy-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)c(OC)c1)CO2
InChIInChI=1S/C21H21N3O4/c1-26-17-4-6-19-13(8-17)7-14(12-28-19)21(25)24-16-3-5-18(20(9-16)27-2)15-10-22-23-11-15/h3-6,8-11,14H,7,12H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyYJWNASNCPVFANI-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.28
Rot. Bonds5

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

6-methoxy-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 44571471) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-methoxy-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID44571471
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name6-methoxy-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)c(OC)c1)CO2
InChIInChI=1S/C21H21N3O4/c1-26-17-4-6-19-13(8-17)7-14(12-28-19)21(25)24-16-3-5-18(20(9-16)27-2)15-10-22-23-11-15/h3-6,8-11,14H,7,12H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyYJWNASNCPVFANI-UHFFFAOYSA-N
XLogP3.28
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 44571471) is 6-methoxy-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3cn[nH]c3)c(OC)c1)CO2.
What is the InChIKey of 6-methoxy-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is YJWNASNCPVFANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-26-17-4-6-19-13(8-17)7-14(12-28-19)21(25)24-16-3-5-18(20(9-16)27-2)15-10-22-23-11-15/h3-6,8-11,14H,7,12H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 6-methoxy-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-methoxy-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 44571471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).