N-[2-(2,4-dichlorophenyl)ethyl]-5-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]pyridine-3-carboxamide

C22H19Cl2N3O2 — CID 44527399

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-5-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]pyridine-3-carboxamide
SMILESCOc1cncc(/C=C/c2cncc(C(=O)NCCc3ccc(Cl)cc3Cl)c2)c1
InChIInChI=1S/C22H19Cl2N3O2/c1-29-20-9-16(12-26-14-20)3-2-15-8-18(13-25-11-15)22(28)27-7-6-17-4-5-19(23)10-21(17)24/h2-5,8-14H,6-7H2,1H3,(H,27,28)/b3-2+
InChIKeySSANCXRDDRSMBW-NSCUHMNNSA-N
MW428.32 g/mol
LogP4.93
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)ethyl]-5-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]pyridine-3-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-5-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]pyridine-3-carboxamide (PubChem CID 44527399) has the molecular formula C22H19Cl2N3O2 and a molecular weight of 428.32 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-5-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-5-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]pyridine-3-carboxamide
PubChem CID44527399
Molecular FormulaC22H19Cl2N3O2
Molecular Weight428.32 g/mol
Exact Mass427.09
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-5-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]pyridine-3-carboxamide
SMILESCOc1cncc(/C=C/c2cncc(C(=O)NCCc3ccc(Cl)cc3Cl)c2)c1
InChIInChI=1S/C22H19Cl2N3O2/c1-29-20-9-16(12-26-14-20)3-2-15-8-18(13-25-11-15)22(28)27-7-6-17-4-5-19(23)10-21(17)24/h2-5,8-14H,6-7H2,1H3,(H,27,28)/b3-2+
InChIKeySSANCXRDDRSMBW-NSCUHMNNSA-N
XLogP4.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.32
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-5-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-5-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]pyridine-3-carboxamide (CID 44527399) is N-[2-(2,4-dichlorophenyl)ethyl]-5-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-5-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-5-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]pyridine-3-carboxamide is COc1cncc(/C=C/c2cncc(C(=O)NCCc3ccc(Cl)cc3Cl)c2)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-5-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]pyridine-3-carboxamide?
The InChIKey is SSANCXRDDRSMBW-NSCUHMNNSA-N. The full InChI is InChI=1S/C22H19Cl2N3O2/c1-29-20-9-16(12-26-14-20)3-2-15-8-18(13-25-11-15)22(28)27-7-6-17-4-5-19(23)10-21(17)24/h2-5,8-14H,6-7H2,1H3,(H,27,28)/b3-2+.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-5-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]pyridine-3-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-5-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]pyridine-3-carboxamide has a molecular weight of 428.32 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-5-[(E)-2-(5-methoxy-3-pyridinyl)ethenyl]pyridine-3-carboxamide is sourced from PubChem (CID 44527399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).