5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide

C23H24N4O2 — CID 109106106

IUPAC5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cncc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C23H24N4O2/c1-17(2)27(16-19-6-4-3-5-7-19)23(29)21-12-20(14-25-15-21)22(28)26-13-18-8-10-24-11-9-18/h3-12,14-15,17H,13,16H2,1-2H3,(H,26,28)
InChIKeyRLAMOCOWFNKPLX-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.46
Rot. Bonds7

About 5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide

5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109106106) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109106106
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cncc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C23H24N4O2/c1-17(2)27(16-19-6-4-3-5-7-19)23(29)21-12-20(14-25-15-21)22(28)26-13-18-8-10-24-11-9-18/h3-12,14-15,17H,13,16H2,1-2H3,(H,26,28)
InChIKeyRLAMOCOWFNKPLX-UHFFFAOYSA-N
XLogP3.46
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109233157
5-N-(1-phenylethyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105346
3-N-(3-methylbutyl)-5-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106107
N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109239700
N-benzyl-5-(3-methylbutylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109239678
3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105028
5-anilino-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235531
5-N-benzyl-5-N-ethyl-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105262
4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047086
N-benzyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-propan-2-ylpyridine-3-carboxamide
CID 109239728
N-benzyl-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109231703
5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105507

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide (CID 109106106) is 5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cncc(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is RLAMOCOWFNKPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17(2)27(16-19-6-4-3-5-7-19)23(29)21-12-20(14-25-15-21)22(28)26-13-18-8-10-24-11-9-18/h3-12,14-15,17H,13,16H2,1-2H3,(H,26,28).
What are the key properties of 5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide?
5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109106106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).