N-[(3-ethoxy-4-ethylphenyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide

C28H28N4O2 — CID 90886634

IUPACN-[(3-ethoxy-4-ethylphenyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide
SMILESCCOc1cc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2ccccn2)ccc1CC
InChIInChI=1S/C28H28N4O2/c1-4-21-10-9-20(13-26(21)34-5-2)16-32-28(33)24-14-23(22-12-19(3)15-29-17-22)18-31-27(24)25-8-6-7-11-30-25/h6-15,17-18H,4-5,16H2,1-3H3,(H,32,33)
InChIKeyOFJUZYTVGPUEBJ-UHFFFAOYSA-N
MW452.56 g/mol
LogP5.41
Rot. Bonds8

About N-[(3-ethoxy-4-ethylphenyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide

N-[(3-ethoxy-4-ethylphenyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide (PubChem CID 90886634) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[(3-ethoxy-4-ethylphenyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxy-4-ethylphenyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide
PubChem CID90886634
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC NameN-[(3-ethoxy-4-ethylphenyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide
SMILESCCOc1cc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2ccccn2)ccc1CC
InChIInChI=1S/C28H28N4O2/c1-4-21-10-9-20(13-26(21)34-5-2)16-32-28(33)24-14-23(22-12-19(3)15-29-17-22)18-31-27(24)25-8-6-7-11-30-25/h6-15,17-18H,4-5,16H2,1-3H3,(H,32,33)
InChIKeyOFJUZYTVGPUEBJ-UHFFFAOYSA-N
XLogP5.41
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.56
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-ethoxy-4-ethylphenyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide with MolForge

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Related Compounds

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CID 56945146
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CID 25060899
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide
CID 25225718
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 45375925
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-phenylpyridine-4-carboxamide
CID 46190694
ROCK inhibitor-2
CID 51003130
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-methoxyphenyl)pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxy-4-ethylphenyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[(3-ethoxy-4-ethylphenyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide (CID 90886634) is N-[(3-ethoxy-4-ethylphenyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-ethoxy-4-ethylphenyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-ethoxy-4-ethylphenyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide is CCOc1cc(CNC(=O)c2cc(-c3cncc(C)c3)cnc2-c2ccccn2)ccc1CC.
What is the InChIKey of N-[(3-ethoxy-4-ethylphenyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide?
The InChIKey is OFJUZYTVGPUEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-4-21-10-9-20(13-26(21)34-5-2)16-32-28(33)24-14-23(22-12-19(3)15-29-17-22)18-31-27(24)25-8-6-7-11-30-25/h6-15,17-18H,4-5,16H2,1-3H3,(H,32,33).
What are the key properties of N-[(3-ethoxy-4-ethylphenyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide?
N-[(3-ethoxy-4-ethylphenyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-ethylphenyl)methyl]-5-(5-methyl-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 90886634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).