N-[(3,4-dichlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

C20H14Cl2N2O2 — CID 121363517

IUPACN-[(3,4-dichlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C20H14Cl2N2O2/c21-17-4-1-12(7-18(17)22)9-24-20(25)13-2-3-16-15-5-6-23-10-14(15)11-26-19(16)8-13/h1-8,10H,9,11H2,(H,24,25)
InChIKeyJBEJANUMAFGTQN-UHFFFAOYSA-N
MW385.25 g/mol
LogP4.88
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide

N-[(3,4-dichlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (PubChem CID 121363517) has the molecular formula C20H14Cl2N2O2 and a molecular weight of 385.25 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
PubChem CID121363517
Molecular FormulaC20H14Cl2N2O2
Molecular Weight385.25 g/mol
Exact Mass384.04
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C20H14Cl2N2O2/c21-17-4-1-12(7-18(17)22)9-24-20(25)13-2-3-16-15-5-6-23-10-14(15)11-26-19(16)8-13/h1-8,10H,9,11H2,(H,24,25)
InChIKeyJBEJANUMAFGTQN-UHFFFAOYSA-N
XLogP4.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide (CID 121363517) is N-[(3,4-dichlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
The InChIKey is JBEJANUMAFGTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O2/c21-17-4-1-12(7-18(17)22)9-24-20(25)13-2-3-16-15-5-6-23-10-14(15)11-26-19(16)8-13/h1-8,10H,9,11H2,(H,24,25).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide has a molecular weight of 385.25 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide is sourced from PubChem (CID 121363517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).