2-(3,4-dimethoxyphenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide

C24H21N3O5 — CID 135450383

IUPAC2-(3,4-dimethoxyphenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)cc1OC
InChIInChI=1S/C24H21N3O5/c1-14-5-4-6-22(25-14)27-23(29)18-11-15-7-9-17(28)13-20(15)32-24(18)26-16-8-10-19(30-2)21(12-16)31-3/h4-13,28H,1-3H3,(H,25,27,29)/b26-24-
InChIKeyFLCMSIBUTPDBOT-LCUIJRPUSA-N
MW431.45 g/mol
LogP4.34
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide

2-(3,4-dimethoxyphenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide (PubChem CID 135450383) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
PubChem CID135450383
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name2-(3,4-dimethoxyphenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)cc1OC
InChIInChI=1S/C24H21N3O5/c1-14-5-4-6-22(25-14)27-23(29)18-11-15-7-9-17(28)13-20(15)32-24(18)26-16-8-10-19(30-2)21(12-16)31-3/h4-13,28H,1-3H3,(H,25,27,29)/b26-24-
InChIKeyFLCMSIBUTPDBOT-LCUIJRPUSA-N
XLogP4.34
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(3,4-dimethoxyphenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)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 2-(3,4-dimethoxyphenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide (CID 135450383) is 2-(3,4-dimethoxyphenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide is COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide?
The InChIKey is FLCMSIBUTPDBOT-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-14-5-4-6-22(25-14)27-23(29)18-11-15-7-9-17(28)13-20(15)32-24(18)26-16-8-10-19(30-2)21(12-16)31-3/h4-13,28H,1-3H3,(H,25,27,29)/b26-24-.
What are the key properties of 2-(3,4-dimethoxyphenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide?
2-(3,4-dimethoxyphenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide has a molecular weight of 431.45 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide is sourced from PubChem (CID 135450383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).