2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide

C17H20N4O3 — CID 109095843

IUPAC2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCOCCCNC(=O)c1cccc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C17H20N4O3/c1-24-10-4-9-19-16(22)14-6-2-7-15(21-14)17(23)20-12-13-5-3-8-18-11-13/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyCGKMKBSAUHTNBZ-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.17
Rot. Bonds8

About 2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide

2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 109095843) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID109095843
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCOCCCNC(=O)c1cccc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C17H20N4O3/c1-24-10-4-9-19-16(22)14-6-2-7-15(21-14)17(23)20-12-13-5-3-8-18-11-13/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,19,22)(H,20,23)
InChIKeyCGKMKBSAUHTNBZ-UHFFFAOYSA-N
XLogP1.17
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3113992
4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109082510
2-N-[2-(dimethylamino)ethyl]-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096293
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
dicopper;methanol;bis(6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylate);dichloride;pentahydrate
CID 139158103
6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098258
2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094037
6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 112853302
6-N-(2,6-diethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098267
6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
CID 86779907
6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide;hydrochloride
CID 86779906
6-methoxy-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 84581499

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide (CID 109095843) is 2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide is COCCCNC(=O)c1cccc(C(=O)NCc2cccnc2)n1.
What is the InChIKey of 2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is CGKMKBSAUHTNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-24-10-4-9-19-16(22)14-6-2-7-15(21-14)17(23)20-12-13-5-3-8-18-11-13/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109095843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).