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

C16H16N4O2 — CID 109094037

IUPAC2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C16H16N4O2/c1-2-8-18-15(21)13-6-3-7-14(20-13)16(22)19-11-12-5-4-9-17-10-12/h2-7,9-10H,1,8,11H2,(H,18,21)(H,19,22)
InChIKeyRALMXASHWLQZAQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.32
Rot. Bonds6

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

2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 109094037) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID109094037
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
SMILESC=CCNC(=O)c1cccc(C(=O)NCc2cccnc2)n1
InChIInChI=1S/C16H16N4O2/c1-2-8-18-15(21)13-6-3-7-14(20-13)16(22)19-11-12-5-4-9-17-10-12/h2-7,9-10H,1,8,11H2,(H,18,21)(H,19,22)
InChIKeyRALMXASHWLQZAQ-UHFFFAOYSA-N
XLogP1.32
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
2-N-[2-(dimethylamino)ethyl]-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096293
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
6-N-(2,6-diethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098267
2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109095843
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307168
6-N-(2-ethyl-6-methylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098263
6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 117083141
6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 95825804
6-(4-iodopyrazol-1-yl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 59406324
N-prop-2-enyl-3-pyridin-3-ylpropanamide
CID 60667734

Frequently Asked Questions

What is the IUPAC name of 2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide (CID 109094037) is 2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide is C=CCNC(=O)c1cccc(C(=O)NCc2cccnc2)n1.
What is the InChIKey of 2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is RALMXASHWLQZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-2-8-18-15(21)13-6-3-7-14(20-13)16(22)19-11-12-5-4-9-17-10-12/h2-7,9-10H,1,8,11H2,(H,18,21)(H,19,22).
What are the key properties of 2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide?
2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).