N-(5-methyl-2-pyridinyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide

C23H19N3O2S — CID 51367773

IUPACN-(5-methyl-2-pyridinyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide
SMILESCSc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)c1
InChIInChI=1S/C23H19N3O2S/c1-15-10-11-21(24-14-15)26-22(27)19-12-16-6-3-4-9-20(16)28-23(19)25-17-7-5-8-18(13-17)29-2/h3-14H,1-2H3,(H,24,26,27)/b25-23-
InChIKeyGPDZWMUMABXSMZ-BZZOAKBMSA-N
MW401.49 g/mol
LogP5.34
Rot. Bonds4

About N-(5-methyl-2-pyridinyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide

N-(5-methyl-2-pyridinyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide (PubChem CID 51367773) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide
PubChem CID51367773
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC NameN-(5-methyl-2-pyridinyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide
SMILESCSc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)c1
InChIInChI=1S/C23H19N3O2S/c1-15-10-11-21(24-14-15)26-22(27)19-12-16-6-3-4-9-20(16)28-23(19)25-17-7-5-8-18(13-17)29-2/h3-14H,1-2H3,(H,24,26,27)/b25-23-
InChIKeyGPDZWMUMABXSMZ-BZZOAKBMSA-N
XLogP5.34
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367761
N-(4-chlorophenyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide
CID 51367296
2-(3-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367703
2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367843
2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367823
6-chloro-2-(2-methylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367465
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631585
2-(2-fluoro-4-methylphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367852
2-(4-methylsulfanylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367697
2-(4-methylphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 5085744
2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370455
2-(3-fluoro-2-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367754

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide (CID 51367773) is N-(5-methyl-2-pyridinyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide is CSc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)c1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide?
The InChIKey is GPDZWMUMABXSMZ-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-15-10-11-21(24-14-15)26-22(27)19-12-16-6-3-4-9-20(16)28-23(19)25-17-7-5-8-18(13-17)29-2/h3-14H,1-2H3,(H,24,26,27)/b25-23-.
What are the key properties of N-(5-methyl-2-pyridinyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide?
N-(5-methyl-2-pyridinyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 51367773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).