6-chloro-2-(2-methylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide

C23H18ClN3O2 — CID 51367465

IUPAC6-chloro-2-(2-methylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccccc2C)nc1
InChIInChI=1S/C23H18ClN3O2/c1-14-7-10-21(25-13-14)27-22(28)18-12-16-11-17(24)8-9-20(16)29-23(18)26-19-6-4-3-5-15(19)2/h3-13H,1-2H3,(H,25,27,28)/b26-23-
InChIKeyQTCQAUNFQWKUBC-RWEWTDSWSA-N
MW403.87 g/mol
LogP5.58
Rot. Bonds3

About 6-chloro-2-(2-methylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide

6-chloro-2-(2-methylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide (PubChem CID 51367465) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 6-chloro-2-(2-methylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(2-methylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
PubChem CID51367465
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name6-chloro-2-(2-methylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccccc2C)nc1
InChIInChI=1S/C23H18ClN3O2/c1-14-7-10-21(25-13-14)27-22(28)18-12-16-11-17(24)8-9-20(16)29-23(18)26-19-6-4-3-5-15(19)2/h3-13H,1-2H3,(H,25,27,28)/b26-23-
InChIKeyQTCQAUNFQWKUBC-RWEWTDSWSA-N
XLogP5.58
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-(2-methylphenyl)iminochromene-3-carboxamide
CID 51370435
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
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-6-chloro-2-(2-methylphenyl)iminochromene-3-carboxamide
CID 45146514
N-(2,4-dimethylphenyl)-2-(2-methylphenyl)iminochromene-3-carboxamide
CID 51370469
2-(4-ethylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367761
6-bromo-2-(2,3-dimethylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367429
2-(5-chloro-2-methylphenyl)imino-N-phenylchromene-3-carboxamide
CID 53334867
N-(5-methyl-2-pyridinyl)-2-(3-methylsulfanylphenyl)iminochromene-3-carboxamide
CID 51367773
6-bromo-2-(2-fluoro-4-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367462
6-chloro-2-(2,4-dimethylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184888
6-chloro-2-(2,5-dimethylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184890

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2-methylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide?
The IUPAC name of 6-chloro-2-(2-methylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide (CID 51367465) is 6-chloro-2-(2-methylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-2-(2-methylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide?
The canonical SMILES for 6-chloro-2-(2-methylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide is Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccccc2C)nc1.
What is the InChIKey of 6-chloro-2-(2-methylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide?
The InChIKey is QTCQAUNFQWKUBC-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-14-7-10-21(25-13-14)27-22(28)18-12-16-11-17(24)8-9-20(16)29-23(18)26-19-6-4-3-5-15(19)2/h3-13H,1-2H3,(H,25,27,28)/b26-23-.
What are the key properties of 6-chloro-2-(2-methylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide?
6-chloro-2-(2-methylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-methylphenyl)imino-N-(5-methyl-2-pyridinyl)chromene-3-carboxamide is sourced from PubChem (CID 51367465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).