2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide

C23H18ClN3O3 — CID 51367859

IUPAC2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)cc1Cl
InChIInChI=1S/C23H18ClN3O3/c1-14-6-5-9-21(25-14)27-22(28)17-12-15-7-3-4-8-19(15)30-23(17)26-16-10-11-20(29-2)18(24)13-16/h3-13H,1-2H3,(H,25,27,28)/b26-23-
InChIKeyYKOPDAUCVZDYSP-RWEWTDSWSA-N
MW419.87 g/mol
LogP5.28
Rot. Bonds4

About 2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide

2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide (PubChem CID 51367859) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
PubChem CID51367859
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC Name2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)cc1Cl
InChIInChI=1S/C23H18ClN3O3/c1-14-6-5-9-21(25-14)27-22(28)17-12-15-7-3-4-8-19(15)30-23(17)26-16-10-11-20(29-2)18(24)13-16/h3-13H,1-2H3,(H,25,27,28)/b26-23-
InChIKeyYKOPDAUCVZDYSP-RWEWTDSWSA-N
XLogP5.28
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.87
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370455
2-(3-chloro-4-methoxyphenyl)imino-N-(4-chlorophenyl)chromene-3-carboxamide
CID 51367328
2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367823
2-(3-chlorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367843
2-(4-ethoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367828
2-(3-chloro-2-fluorophenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367847
8-methoxy-2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367581
2-(3-chloro-4-methylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368049
2-(4-chlorophenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631616
6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370459
2-(1,3-benzodioxol-5-ylimino)-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 53334809
2-(3-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367703

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide (CID 51367859) is 2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide is COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide?
The InChIKey is YKOPDAUCVZDYSP-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-14-6-5-9-21(25-14)27-22(28)17-12-15-7-3-4-8-19(15)30-23(17)26-16-10-11-20(29-2)18(24)13-16/h3-13H,1-2H3,(H,25,27,28)/b26-23-.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide?
2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide has a molecular weight of 419.87 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide is sourced from PubChem (CID 51367859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).