2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide

C23H18FN3O4 — CID 135631585

IUPAC2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(C)cn2)cc1F
InChIInChI=1S/C23H18FN3O4/c1-13-3-8-21(25-12-13)27-22(29)17-9-14-4-6-16(28)11-20(14)31-23(17)26-15-5-7-19(30-2)18(24)10-15/h3-12,28H,1-2H3,(H,25,27,29)/b26-23-
InChIKeyJKFJTBOQYGVVHV-RWEWTDSWSA-N
MW419.41 g/mol
LogP4.47
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide

2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide (PubChem CID 135631585) has the molecular formula C23H18FN3O4 and a molecular weight of 419.41 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
PubChem CID135631585
Molecular FormulaC23H18FN3O4
Molecular Weight419.41 g/mol
Exact Mass419.13
IUPAC Name2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(C)cn2)cc1F
InChIInChI=1S/C23H18FN3O4/c1-13-3-8-21(25-12-13)27-22(29)17-9-14-4-6-16(28)11-20(14)31-23(17)26-15-5-7-19(30-2)18(24)10-15/h3-12,28H,1-2H3,(H,25,27,29)/b26-23-
InChIKeyJKFJTBOQYGVVHV-RWEWTDSWSA-N
XLogP4.47
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631681
2-(5-chloro-2-fluorophenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135990507
2-(2,5-dimethylphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631538
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777862
2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368055
2-(4-chlorophenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631616
7-hydroxy-2-(3-methylphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631588
N-(5-methyl-2-pyridinyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide
CID 51367773
methyl 3-[[7-hydroxy-3-(pyridin-2-ylcarbamoyl)chromen-2-ylidene]amino]benzoate
CID 135631486
2-(4-ethylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367761
2-(2-fluoro-5-methylphenyl)imino-7-hydroxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 135631679
2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide
CID 135631517

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide (CID 135631585) is 2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide is COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(C)cn2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide?
The InChIKey is JKFJTBOQYGVVHV-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H18FN3O4/c1-13-3-8-21(25-12-13)27-22(29)17-9-14-4-6-16(28)11-20(14)31-23(17)26-15-5-7-19(30-2)18(24)10-15/h3-12,28H,1-2H3,(H,25,27,29)/b26-23-.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide?
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide has a molecular weight of 419.41 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide is sourced from PubChem (CID 135631585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).