N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)phenyl]acetamide

C20H15ClN4O2 — CID 170715436

IUPACN-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)phenyl]acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(-c3cccc(C#N)n3)cc2)ncc1Cl
InChIInChI=1S/C20H15ClN4O2/c1-27-18-10-19(23-12-16(18)21)25-20(26)9-13-5-7-14(8-6-13)17-4-2-3-15(11-22)24-17/h2-8,10,12H,9H2,1H3,(H,23,25,26)
InChIKeyHUWRSGIKWGGHJR-UHFFFAOYSA-N
MW378.82 g/mol
LogP3.86
Rot. Bonds5

About N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)phenyl]acetamide

N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)phenyl]acetamide (PubChem CID 170715436) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)phenyl]acetamide
PubChem CID170715436
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC NameN-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)phenyl]acetamide
SMILESCOc1cc(NC(=O)Cc2ccc(-c3cccc(C#N)n3)cc2)ncc1Cl
InChIInChI=1S/C20H15ClN4O2/c1-27-18-10-19(23-12-16(18)21)25-20(26)9-13-5-7-14(8-6-13)17-4-2-3-15(11-22)24-17/h2-8,10,12H,9H2,1H3,(H,23,25,26)
InChIKeyHUWRSGIKWGGHJR-UHFFFAOYSA-N
XLogP3.86
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)phenyl]acetamide?
The IUPAC name of N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)phenyl]acetamide (CID 170715436) is N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)phenyl]acetamide.
What is the SMILES notation for N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)phenyl]acetamide?
The canonical SMILES for N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)phenyl]acetamide is COc1cc(NC(=O)Cc2ccc(-c3cccc(C#N)n3)cc2)ncc1Cl.
What is the InChIKey of N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)phenyl]acetamide?
The InChIKey is HUWRSGIKWGGHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c1-27-18-10-19(23-12-16(18)21)25-20(26)9-13-5-7-14(8-6-13)17-4-2-3-15(11-22)24-17/h2-8,10,12H,9H2,1H3,(H,23,25,26).
What are the key properties of N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)phenyl]acetamide?
N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)phenyl]acetamide has a molecular weight of 378.82 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methoxy-2-pyridinyl)-2-[4-(6-cyano-2-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 170715436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).