4-N-(2-ethylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide

C21H20N4O2 — CID 109087638

IUPAC4-N-(2-ethylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C21H20N4O2/c1-2-16-5-3-4-6-18(16)25-20(26)17-9-12-23-19(13-17)21(27)24-14-15-7-10-22-11-8-15/h3-13H,2,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyROJHTOAHZFXRFR-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.22
Rot. Bonds6

About 4-N-(2-ethylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide

4-N-(2-ethylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109087638) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 4-N-(2-ethylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-ethylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109087638
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name4-N-(2-ethylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C21H20N4O2/c1-2-16-5-3-4-6-18(16)25-20(26)17-9-12-23-19(13-17)21(27)24-14-15-7-10-22-11-8-15/h3-13H,2,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyROJHTOAHZFXRFR-UHFFFAOYSA-N
XLogP3.22
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-ethoxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087665
2-N,4-N-bis(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092181
4-N-(2-propan-2-yloxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087668
2-N-[(2-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085604
2-N-(2-ethylphenyl)-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085719
2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087550
2-N-(2-ethylphenyl)-4-N-phenylpyridine-2,4-dicarboxamide
CID 109090820
2-N-tert-butyl-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109089264
2-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109084067
4-N-(4-chloro-2-methylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087656
4-N-(2,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087685
2-N-(3-acetylphenyl)-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092202

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2-ethylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide (CID 109087638) is 4-N-(2-ethylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-ethylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2-ethylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide is CCc1ccccc1NC(=O)c1ccnc(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 4-N-(2-ethylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is ROJHTOAHZFXRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-2-16-5-3-4-6-18(16)25-20(26)17-9-12-23-19(13-17)21(27)24-14-15-7-10-22-11-8-15/h3-13H,2,14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 4-N-(2-ethylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide?
4-N-(2-ethylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109087638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).