4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide

C23H18N4O2 — CID 109085380

IUPAC4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C23H18N4O2/c28-22(26-15-16-6-2-1-3-7-16)18-11-13-24-20(14-18)23(29)27-19-10-4-8-17-9-5-12-25-21(17)19/h1-14H,15H2,(H,26,28)(H,27,29)
InChIKeyJMRDHVYEBFWFDW-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.81
Rot. Bonds5

About 4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide

4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide (PubChem CID 109085380) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide
PubChem CID109085380
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide
SMILESO=C(NCc1ccccc1)c1ccnc(C(=O)Nc2cccc3cccnc23)c1
InChIInChI=1S/C23H18N4O2/c28-22(26-15-16-6-2-1-3-7-16)18-11-13-24-20(14-18)23(29)27-19-10-4-8-17-9-5-12-25-21(17)19/h1-14H,15H2,(H,26,28)(H,27,29)
InChIKeyJMRDHVYEBFWFDW-UHFFFAOYSA-N
XLogP3.81
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-prop-2-enyl-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109079155
4-(2-phenylethylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109213726
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
2-N-(2-tert-butylphenyl)-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087550
4-N-benzyl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085349
2-N-(4-methoxyphenyl)-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109093095
2-N-(3-methylphenyl)-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109091249
4-N-benzyl-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109085321
1-benzyl-3-quinolin-8-ylthiourea
CID 8655123
2-N-(2-ethylphenyl)-4-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085719
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109093313
2-[benzyl(methyl)amino]-N-quinolin-8-ylpyridine-4-carboxamide
CID 109170363

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide (CID 109085380) is 4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide is O=C(NCc1ccccc1)c1ccnc(C(=O)Nc2cccc3cccnc23)c1.
What is the InChIKey of 4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide?
The InChIKey is JMRDHVYEBFWFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c28-22(26-15-16-6-2-1-3-7-16)18-11-13-24-20(14-18)23(29)27-19-10-4-8-17-9-5-12-25-21(17)19/h1-14H,15H2,(H,26,28)(H,27,29).
What are the key properties of 4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide?
4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-quinolin-8-ylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109085380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).