2-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide

C23H18ClN3O3 — CID 51367169

IUPAC2-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(C)cc3Cl)oc12
InChIInChI=1S/C23H18ClN3O3/c1-14-9-10-18(17(24)12-14)26-23-16(22(28)27-20-8-3-4-11-25-20)13-15-6-5-7-19(29-2)21(15)30-23/h3-13H,1-2H3,(H,25,27,28)/b26-23-
InChIKeyPVGJUGVFONAQOX-RWEWTDSWSA-N
MW419.87 g/mol
LogP5.28
Rot. Bonds4

About 2-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide

2-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide (PubChem CID 51367169) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
PubChem CID51367169
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC Name2-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(C)cc3Cl)oc12
InChIInChI=1S/C23H18ClN3O3/c1-14-9-10-18(17(24)12-14)26-23-16(22(28)27-20-8-3-4-11-25-20)13-15-6-5-7-19(29-2)21(15)30-23/h3-13H,1-2H3,(H,25,27,28)/b26-23-
InChIKeyPVGJUGVFONAQOX-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-(2-chloro-4-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367154
2-(2-chlorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367152
2-(2-fluorophenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide
CID 51367145
2-(2-chloro-4-methylphenyl)imino-7-hydroxy-N-pyridin-2-ylchromene-3-carboxamide
CID 135631517
8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 51367160
2-(2-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 53334824
2-(2,4-dimethoxyphenyl)imino-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367582
6-bromo-2-(2-fluoro-4-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367462
8-methoxy-2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367581
2-(3-methylphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367703
8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 51367608
(2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide
CID 5403929

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide?
The IUPAC name of 2-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide (CID 51367169) is 2-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(C)cc3Cl)oc12.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide?
The InChIKey is PVGJUGVFONAQOX-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c1-14-9-10-18(17(24)12-14)26-23-16(22(28)27-20-8-3-4-11-25-20)13-15-6-5-7-19(29-2)21(15)30-23/h3-13H,1-2H3,(H,25,27,28)/b26-23-.
What are the key properties of 2-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide?
2-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-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-(2-chloro-4-methylphenyl)imino-8-methoxy-N-pyridin-2-ylchromene-3-carboxamide is sourced from PubChem (CID 51367169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).