5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-phenylpyridine-3-carboxamide

C25H21ClN4O3 — CID 25225905

IUPAC5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-phenylpyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccc2)nc1OC
InChIInChI=1S/C25H21ClN4O3/c1-32-22-9-8-20(30-25(22)33-2)15-29-24(31)21-11-18(17-10-19(26)14-27-12-17)13-28-23(21)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,29,31)
InChIKeyUUWDXNQROXJRSZ-UHFFFAOYSA-N
MW460.92 g/mol
LogP4.81
Rot. Bonds7

About 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-phenylpyridine-3-carboxamide

5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-phenylpyridine-3-carboxamide (PubChem CID 25225905) has the molecular formula C25H21ClN4O3 and a molecular weight of 460.92 g/mol. Its IUPAC name is 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-phenylpyridine-3-carboxamide
PubChem CID25225905
Molecular FormulaC25H21ClN4O3
Molecular Weight460.92 g/mol
Exact Mass460.13
IUPAC Name5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-phenylpyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccc2)nc1OC
InChIInChI=1S/C25H21ClN4O3/c1-32-22-9-8-20(30-25(22)33-2)15-29-24(31)21-11-18(17-10-19(26)14-27-12-17)13-28-23(21)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,29,31)
InChIKeyUUWDXNQROXJRSZ-UHFFFAOYSA-N
XLogP4.81
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.92
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-phenylpyridine-3-carboxamide?
The IUPAC name of 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-phenylpyridine-3-carboxamide (CID 25225905) is 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-phenylpyridine-3-carboxamide is COc1ccc(CNC(=O)c2cc(-c3cncc(Cl)c3)cnc2-c2ccccc2)nc1OC.
What is the InChIKey of 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-phenylpyridine-3-carboxamide?
The InChIKey is UUWDXNQROXJRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O3/c1-32-22-9-8-20(30-25(22)33-2)15-29-24(31)21-11-18(17-10-19(26)14-27-12-17)13-28-23(21)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H,29,31).
What are the key properties of 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-phenylpyridine-3-carboxamide?
5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-phenylpyridine-3-carboxamide has a molecular weight of 460.92 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-3-pyridinyl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-phenylpyridine-3-carboxamide is sourced from PubChem (CID 25225905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).