2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide

C22H16ClN3O3 — CID 135631517

IUPAC2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide
SMILESCc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c(Cl)c1
InChIInChI=1S/C22H16ClN3O3/c1-13-5-8-18(17(23)10-13)25-22-16(21(28)26-20-4-2-3-9-24-20)11-14-6-7-15(27)12-19(14)29-22/h2-12,27H,1H3,(H,24,26,28)/b25-22-
InChIKeyTXCOWHZIDAYSLU-LVWGJNHUSA-N
MW405.84 g/mol
LogP4.98
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide

2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide (PubChem CID 135631517) has the molecular formula C22H16ClN3O3 and a molecular weight of 405.84 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide
PubChem CID135631517
Molecular FormulaC22H16ClN3O3
Molecular Weight405.84 g/mol
Exact Mass405.09
IUPAC Name2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide
SMILESCc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c(Cl)c1
InChIInChI=1S/C22H16ClN3O3/c1-13-5-8-18(17(23)10-13)25-22-16(21(28)26-20-4-2-3-9-24-20)11-14-6-7-15(27)12-19(14)29-22/h2-12,27H,1H3,(H,24,26,28)/b25-22-
InChIKeyTXCOWHZIDAYSLU-LVWGJNHUSA-N
XLogP4.98
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631538
2-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367169
2-(5-chloro-2-fluorophenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135990507
6-bromo-2-(2-fluoro-4-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367462
methyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 135631486
7-hydroxy-2-(3-methylphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631588
2-(3-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367703
2-(4-chlorophenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631616
7-hydroxy-N-pyridin-2-yl-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
CID 135631507
2-(2-fluorophenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367722
2-(2-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 53334824
2-(3-fluoro-2-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367754

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide?
The IUPAC name of 2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide (CID 135631517) is 2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide is Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide?
The InChIKey is TXCOWHZIDAYSLU-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H16ClN3O3/c1-13-5-8-18(17(23)10-13)25-22-16(21(28)26-20-4-2-3-9-24-20)11-14-6-7-15(27)12-19(14)29-22/h2-12,27H,1H3,(H,24,26,28)/b25-22-.
What are the key properties of 2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide?
2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide has a molecular weight of 405.84 g/mol, XLogP of 4.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide is sourced from PubChem (CID 135631517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).