2-(2,4-dimethoxyphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide

C23H19N3O5 — CID 135512118

IUPAC2-(2,4-dimethoxyphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c(OC)c1
InChIInChI=1S/C23H19N3O5/c1-29-16-8-9-18(20(13-16)30-2)25-23-17(22(28)26-21-5-3-4-10-24-21)11-14-6-7-15(27)12-19(14)31-23/h3-13,27H,1-2H3,(H,24,26,28)/b25-23-
InChIKeyVFTQMEMIHPBYLO-BZZOAKBMSA-N
MW417.42 g/mol
LogP4.04
Rot. Bonds5

About 2-(2,4-dimethoxyphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide

2-(2,4-dimethoxyphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide (PubChem CID 135512118) has the molecular formula C23H19N3O5 and a molecular weight of 417.42 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide
PubChem CID135512118
Molecular FormulaC23H19N3O5
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC Name2-(2,4-dimethoxyphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c(OC)c1
InChIInChI=1S/C23H19N3O5/c1-29-16-8-9-18(20(13-16)30-2)25-23-17(22(28)26-21-5-3-4-10-24-21)11-14-6-7-15(27)12-19(14)31-23/h3-13,27H,1-2H3,(H,24,26,28)/b25-23-
InChIKeyVFTQMEMIHPBYLO-BZZOAKBMSA-N
XLogP4.04
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide (CID 135512118) is 2-(2,4-dimethoxyphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide is COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide?
The InChIKey is VFTQMEMIHPBYLO-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H19N3O5/c1-29-16-8-9-18(20(13-16)30-2)25-23-17(22(28)26-21-5-3-4-10-24-21)11-14-6-7-15(27)12-19(14)31-23/h3-13,27H,1-2H3,(H,24,26,28)/b25-23-.
What are the key properties of 2-(2,4-dimethoxyphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide?
2-(2,4-dimethoxyphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide has a molecular weight of 417.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide is sourced from PubChem (CID 135512118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).