5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide

C21H20N4O2 — CID 109105346

IUPAC5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCC(NC(=O)c1cncc(C(=O)NCc2ccncc2)c1)c1ccccc1
InChIInChI=1S/C21H20N4O2/c1-15(17-5-3-2-4-6-17)25-21(27)19-11-18(13-23-14-19)20(26)24-12-16-7-9-22-10-8-16/h2-11,13-15H,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyNOJMVQKYRDMFMS-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.90
Rot. Bonds6

About 5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide

5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109105346) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109105346
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCC(NC(=O)c1cncc(C(=O)NCc2ccncc2)c1)c1ccccc1
InChIInChI=1S/C21H20N4O2/c1-15(17-5-3-2-4-6-17)25-21(27)19-11-18(13-23-14-19)20(26)24-12-16-7-9-22-10-8-16/h2-11,13-15H,12H2,1H3,(H,24,26)(H,25,27)
InChIKeyNOJMVQKYRDMFMS-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232761
3-N-[(2-methylphenyl)methyl]-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105087
5-N-(1-phenylethyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105347
3-N-[(2-fluorophenyl)methyl]-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105337
N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109231634
5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106106
3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106107
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235531
3-N-(4-ethylphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105379
N-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109232883
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9116780

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide (CID 109105346) is 5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide is CC(NC(=O)c1cncc(C(=O)NCc2ccncc2)c1)c1ccccc1.
What is the InChIKey of 5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is NOJMVQKYRDMFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-15(17-5-3-2-4-6-17)25-21(27)19-11-18(13-23-14-19)20(26)24-12-16-7-9-22-10-8-16/h2-11,13-15H,12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide?
5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 360.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).