3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide

C18H22N4O2 — CID 109105911

IUPAC3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCCCCCNC(=O)c1cncc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C18H22N4O2/c1-2-3-5-9-21-17(23)14-10-15(12-19-11-14)18(24)22-13-16-7-4-6-8-20-16/h4,6-8,10-12H,2-3,5,9,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyNXIMQMAKZFFQJG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.33
Rot. Bonds8

About 3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide

3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109105911) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109105911
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCCCCCNC(=O)c1cncc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C18H22N4O2/c1-2-3-5-9-21-17(23)14-10-15(12-19-11-14)18(24)22-13-16-7-4-6-8-20-16/h4,6-8,10-12H,2-3,5,9,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyNXIMQMAKZFFQJG-UHFFFAOYSA-N
XLogP2.33
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105910
3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105096
6-(pentylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109157775
N-butyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248078
N-dodecyl-4-[(pyridin-2-ylmethylamino)methyl]benzamide
CID 174467580
5-N-(2-fluorophenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105942
2-N-butyl-6-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094229
5-anilino-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234957
5-(N-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234961
5-(2-methoxyethylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109227845
5-N-(3-chloro-4-methylphenyl)-3-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105950
5-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109104414

Frequently Asked Questions

What is the IUPAC name of 3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide (CID 109105911) is 3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide is CCCCCNC(=O)c1cncc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is NXIMQMAKZFFQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-3-5-9-21-17(23)14-10-15(12-19-11-14)18(24)22-13-16-7-4-6-8-20-16/h4,6-8,10-12H,2-3,5,9,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide?
3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-pentyl-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).