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

C23H18BrN3O3 — CID 51370459

IUPAC6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2cccc(C)n2)cc1
InChIInChI=1S/C23H18BrN3O3/c1-14-4-3-5-21(25-14)27-22(28)19-13-15-12-16(24)6-11-20(15)30-23(19)26-17-7-9-18(29-2)10-8-17/h3-13H,1-2H3,(H,25,27,28)/b26-23-
InChIKeyMZMPMRXBKVCFDJ-RWEWTDSWSA-N
MW464.32 g/mol
LogP5.39
Rot. Bonds4

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

6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide (PubChem CID 51370459) has the molecular formula C23H18BrN3O3 and a molecular weight of 464.32 g/mol. Its IUPAC name is 6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
PubChem CID51370459
Molecular FormulaC23H18BrN3O3
Molecular Weight464.32 g/mol
Exact Mass463.05
IUPAC Name6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
SMILESCOc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2cccc(C)n2)cc1
InChIInChI=1S/C23H18BrN3O3/c1-14-4-3-5-21(25-14)27-22(28)19-13-15-12-16(24)6-11-20(15)30-23(19)26-17-7-9-18(29-2)10-8-17/h3-13H,1-2H3,(H,25,27,28)/b26-23-
InChIKeyMZMPMRXBKVCFDJ-RWEWTDSWSA-N
XLogP5.39
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.32
LogP ≤ 55.39
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
6-bromo-N-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)iminochromene-3-carboxamide
CID 51367342
6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367432
6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 35218231
2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367823
2-(4-ethoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367828
6-bromo-2-(3-methoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367489
8-methoxy-2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367581
6-bromo-2-(3,5-dimethoxyphenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367492
2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367859
2-(4-chlorophenyl)imino-7-hydroxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631616
6-bromo-N-(3-methoxyphenyl)-2-(2-methoxyphenyl)iminochromene-3-carboxamide
CID 4297288

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide?
The IUPAC name of 6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide (CID 51370459) is 6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide.
What is the SMILES notation for 6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide?
The canonical SMILES for 6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide is COc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2cccc(C)n2)cc1.
What is the InChIKey of 6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide?
The InChIKey is MZMPMRXBKVCFDJ-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H18BrN3O3/c1-14-4-3-5-21(25-14)27-22(28)19-13-15-12-16(24)6-11-20(15)30-23(19)26-17-7-9-18(29-2)10-8-17/h3-13H,1-2H3,(H,25,27,28)/b26-23-.
What are the key properties of 6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide?
6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide has a molecular weight of 464.32 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide is sourced from PubChem (CID 51370459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).