N-[(6-ethoxy-5-methoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide

C26H25N5O3 — CID 44633899

IUPACN-[(6-ethoxy-5-methoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide
SMILESCCOc1nc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2ccccn2)ccc1OC
InChIInChI=1S/C26H25N5O3/c1-4-34-26-23(33-3)9-8-20(31-26)16-30-25(32)21-12-19(18-11-17(2)13-27-14-18)15-29-24(21)22-7-5-6-10-28-22/h5-15H,4,16H2,1-3H3,(H,30,32)
InChIKeyDRBOLKAPPNSUFX-UHFFFAOYSA-N
MW455.52 g/mol
LogP4.25
Rot. Bonds8

About N-[(6-ethoxy-5-methoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide

N-[(6-ethoxy-5-methoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide (PubChem CID 44633899) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is N-[(6-ethoxy-5-methoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-ethoxy-5-methoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide
PubChem CID44633899
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC NameN-[(6-ethoxy-5-methoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide
SMILESCCOc1nc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2ccccn2)ccc1OC
InChIInChI=1S/C26H25N5O3/c1-4-34-26-23(33-3)9-8-20(31-26)16-30-25(32)21-12-19(18-11-17(2)13-27-14-18)15-29-24(21)22-7-5-6-10-28-22/h5-15H,4,16H2,1-3H3,(H,30,32)
InChIKeyDRBOLKAPPNSUFX-UHFFFAOYSA-N
XLogP4.25
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-ethoxy-5-methoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[(6-ethoxy-5-methoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide (CID 44633899) is N-[(6-ethoxy-5-methoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(6-ethoxy-5-methoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(6-ethoxy-5-methoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide is CCOc1nc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2ccccn2)ccc1OC.
What is the InChIKey of N-[(6-ethoxy-5-methoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide?
The InChIKey is DRBOLKAPPNSUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-4-34-26-23(33-3)9-8-20(31-26)16-30-25(32)21-12-19(18-11-17(2)13-27-14-18)15-29-24(21)22-7-5-6-10-28-22/h5-15H,4,16H2,1-3H3,(H,30,32).
What are the key properties of N-[(6-ethoxy-5-methoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide?
N-[(6-ethoxy-5-methoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide has a molecular weight of 455.52 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethoxy-5-methoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 44633899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).