2-(1,3-benzodioxol-5-ylimino)-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide

C24H19N3O5 — CID 53334809

IUPAC2-(1,3-benzodioxol-5-ylimino)-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc4c(c3)OCO4)oc12
InChIInChI=1S/C24H19N3O5/c1-14-5-3-8-21(25-14)27-23(28)17-11-15-6-4-7-19(29-2)22(15)32-24(17)26-16-9-10-18-20(12-16)31-13-30-18/h3-12H,13H2,1-2H3,(H,25,27,28)/b26-24-
InChIKeyZXOUQJNYEULJHZ-LCUIJRPUSA-N
MW429.43 g/mol
LogP4.36
Rot. Bonds4

About 2-(1,3-benzodioxol-5-ylimino)-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide

2-(1,3-benzodioxol-5-ylimino)-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide (PubChem CID 53334809) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylimino)-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylimino)-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
PubChem CID53334809
Molecular FormulaC24H19N3O5
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC Name2-(1,3-benzodioxol-5-ylimino)-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc4c(c3)OCO4)oc12
InChIInChI=1S/C24H19N3O5/c1-14-5-3-8-21(25-14)27-23(28)17-11-15-6-4-7-19(29-2)22(15)32-24(17)26-16-9-10-18-20(12-16)31-13-30-18/h3-12H,13H2,1-2H3,(H,25,27,28)/b26-24-
InChIKeyZXOUQJNYEULJHZ-LCUIJRPUSA-N
XLogP4.36
TPSA95.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-methoxy-2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367581
8-methoxy-N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 51367608
2-(2,4-dimethoxyphenyl)imino-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367582
2-(3-chloro-4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367859
2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367823
2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370455
8-methoxy-N-pyridin-2-yl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 51367160
3-(benzenesulfonyl)-N-(1,3-benzodioxol-5-yl)-8-methoxychromen-2-imine
CID 2134478
2-(4-fluoro-3-methylphenyl)imino-8-methoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367650
6-bromo-2-(4-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51370459
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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylimino)-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylimino)-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide (CID 53334809) is 2-(1,3-benzodioxol-5-ylimino)-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylimino)-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylimino)-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc4c(c3)OCO4)oc12.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylimino)-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide?
The InChIKey is ZXOUQJNYEULJHZ-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H19N3O5/c1-14-5-3-8-21(25-14)27-23(28)17-11-15-6-4-7-19(29-2)22(15)32-24(17)26-16-9-10-18-20(12-16)31-13-30-18/h3-12H,13H2,1-2H3,(H,25,27,28)/b26-24-.
What are the key properties of 2-(1,3-benzodioxol-5-ylimino)-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide?
2-(1,3-benzodioxol-5-ylimino)-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylimino)-8-methoxy-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide is sourced from PubChem (CID 53334809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).