N-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide

C26H25N3O3 — CID 35574237

IUPACN-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide
SMILESCc1ccc2c(=O)cc(C(=O)N(Cc3ccc(N(C)C)cc3)c3ccccn3)oc2c1C
InChIInChI=1S/C26H25N3O3/c1-17-8-13-21-22(30)15-23(32-25(21)18(17)2)26(31)29(24-7-5-6-14-27-24)16-19-9-11-20(12-10-19)28(3)4/h5-15H,16H2,1-4H3
InChIKeyCVZJBHSVHBDMEM-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.72
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide (PubChem CID 35574237) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide
PubChem CID35574237
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide
SMILESCc1ccc2c(=O)cc(C(=O)N(Cc3ccc(N(C)C)cc3)c3ccccn3)oc2c1C
InChIInChI=1S/C26H25N3O3/c1-17-8-13-21-22(30)15-23(32-25(21)18(17)2)26(31)29(24-7-5-6-14-27-24)16-19-9-11-20(12-10-19)28(3)4/h5-15H,16H2,1-4H3
InChIKeyCVZJBHSVHBDMEM-UHFFFAOYSA-N
XLogP4.72
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide (CID 35574237) is N-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide is Cc1ccc2c(=O)cc(C(=O)N(Cc3ccc(N(C)C)cc3)c3ccccn3)oc2c1C.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide?
The InChIKey is CVZJBHSVHBDMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-17-8-13-21-22(30)15-23(32-25(21)18(17)2)26(31)29(24-7-5-6-14-27-24)16-19-9-11-20(12-10-19)28(3)4/h5-15H,16H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-7,8-dimethyl-4-oxo-N-pyridin-2-ylchromene-2-carboxamide is sourced from PubChem (CID 35574237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).