methyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate

C23H17N3O4 — CID 51367720

IUPACmethyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
SMILESCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C23H17N3O4/c1-29-23(28)15-9-11-17(12-10-15)25-22-18(14-16-6-2-3-7-19(16)30-22)21(27)26-20-8-4-5-13-24-20/h2-14H,1H3,(H,24,26,27)/b25-22-
InChIKeyOPQUCUBSEXGTRJ-LVWGJNHUSA-N
MW399.41 g/mol
LogP4.10
Rot. Bonds4

About methyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate

methyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate (PubChem CID 51367720) has the molecular formula C23H17N3O4 and a molecular weight of 399.41 g/mol. Its IUPAC name is methyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
PubChem CID51367720
Molecular FormulaC23H17N3O4
Molecular Weight399.41 g/mol
Exact Mass399.12
IUPAC Namemethyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
SMILESCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C23H17N3O4/c1-29-23(28)15-9-11-17(12-10-15)25-22-18(14-16-6-2-3-7-19(16)30-22)21(27)26-20-8-4-5-13-24-20/h2-14H,1H3,(H,24,26,27)/b25-22-
InChIKeyOPQUCUBSEXGTRJ-LVWGJNHUSA-N
XLogP4.10
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367703
2-(2-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 53334824
methyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 135631486
2-(2-fluorophenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367722
2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370455
2-(2,5-difluorophenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367726
2-(3-fluoro-2-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367754
2-(4-ethylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367761
2-(4-ethoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367828
6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367432
2-(4-carbamoylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368024
2-hydroxyimino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 4986523

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate?
The IUPAC name of methyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate (CID 51367720) is methyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate.
What is the SMILES notation for methyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate?
The canonical SMILES for methyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate is COC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccn2)cc1.
What is the InChIKey of methyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate?
The InChIKey is OPQUCUBSEXGTRJ-LVWGJNHUSA-N. The full InChI is InChI=1S/C23H17N3O4/c1-29-23(28)15-9-11-17(12-10-15)25-22-18(14-16-6-2-3-7-19(16)30-22)21(27)26-20-8-4-5-13-24-20/h2-14H,1H3,(H,24,26,27)/b25-22-.
What are the key properties of methyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate?
methyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate has a molecular weight of 399.41 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate is sourced from PubChem (CID 51367720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).