3-(5-ethyl-2-pyridinyl)-N-[(6-ethyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide

C27H26N4O — CID 91393472

IUPAC3-(5-ethyl-2-pyridinyl)-N-[(6-ethyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide
SMILESCCc1ccc(-c2cc(C(=O)NCc3ccc(CC)nc3)cc(-c3ccncc3)c2)nc1
InChIInChI=1S/C27H26N4O/c1-3-19-6-8-26(30-16-19)23-13-22(21-9-11-28-12-10-21)14-24(15-23)27(32)31-18-20-5-7-25(4-2)29-17-20/h5-17H,3-4,18H2,1-2H3,(H,31,32)
InChIKeyAMUDCRRQYLKTFR-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.26
Rot. Bonds7

About 3-(5-ethyl-2-pyridinyl)-N-[(6-ethyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide

3-(5-ethyl-2-pyridinyl)-N-[(6-ethyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide (PubChem CID 91393472) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-(5-ethyl-2-pyridinyl)-N-[(6-ethyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name3-(5-ethyl-2-pyridinyl)-N-[(6-ethyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide
PubChem CID91393472
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC Name3-(5-ethyl-2-pyridinyl)-N-[(6-ethyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide
SMILESCCc1ccc(-c2cc(C(=O)NCc3ccc(CC)nc3)cc(-c3ccncc3)c2)nc1
InChIInChI=1S/C27H26N4O/c1-3-19-6-8-26(30-16-19)23-13-22(21-9-11-28-12-10-21)14-24(15-23)27(32)31-18-20-5-7-25(4-2)29-17-20/h5-17H,3-4,18H2,1-2H3,(H,31,32)
InChIKeyAMUDCRRQYLKTFR-UHFFFAOYSA-N
XLogP5.26
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-ethyl-2-pyridinyl)-N-[(6-ethyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide with MolForge

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Related Compounds

3-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide
CID 45136907
3-(4-ethylphenyl)-5-[4-(hydroxymethyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 143959958
N-[[4-[(1R)-1-aminoethyl]phenyl]methyl]-6-pyridin-4-ylpyridine-3-carboxamide
CID 155966958
6-[6-(dimethylamino)-3-pyridinyl]-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 118500223
3-(2-hydroxyphenyl)-5-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 143959971
tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700
3-(2-cyanophenyl)-5-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 45136905
5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 136514307
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 121022431
3-N,3-N-dimethyl-5-(4-methylphenyl)-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,3-dicarboxamide
CID 58188040
3-(5-methyl-2-pyridinyl)-5-methylsulfanyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]benzamide
CID 162600667
5-(3-acetylphenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 66632627

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-pyridinyl)-N-[(6-ethyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide?
The IUPAC name of 3-(5-ethyl-2-pyridinyl)-N-[(6-ethyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide (CID 91393472) is 3-(5-ethyl-2-pyridinyl)-N-[(6-ethyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide.
What is the SMILES notation for 3-(5-ethyl-2-pyridinyl)-N-[(6-ethyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide?
The canonical SMILES for 3-(5-ethyl-2-pyridinyl)-N-[(6-ethyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide is CCc1ccc(-c2cc(C(=O)NCc3ccc(CC)nc3)cc(-c3ccncc3)c2)nc1.
What is the InChIKey of 3-(5-ethyl-2-pyridinyl)-N-[(6-ethyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide?
The InChIKey is AMUDCRRQYLKTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c1-3-19-6-8-26(30-16-19)23-13-22(21-9-11-28-12-10-21)14-24(15-23)27(32)31-18-20-5-7-25(4-2)29-17-20/h5-17H,3-4,18H2,1-2H3,(H,31,32).
What are the key properties of 3-(5-ethyl-2-pyridinyl)-N-[(6-ethyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide?
3-(5-ethyl-2-pyridinyl)-N-[(6-ethyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide has a molecular weight of 422.53 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2-pyridinyl)-N-[(6-ethyl-3-pyridinyl)methyl]-5-pyridin-4-ylbenzamide is sourced from PubChem (CID 91393472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).