2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide

C18H18N4O3 — CID 109082631

IUPAC2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
SMILESCOCCCNC(=O)c1ccnc(C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C18H18N4O3/c1-25-10-4-8-21-17(23)13-7-9-20-16(11-13)18(24)22-15-6-3-2-5-14(15)12-19/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyMOXBVEZKKDJLRZ-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.97
Rot. Bonds7

About 2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide

2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide (PubChem CID 109082631) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
PubChem CID109082631
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
SMILESCOCCCNC(=O)c1ccnc(C(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C18H18N4O3/c1-25-10-4-8-21-17(23)13-7-9-20-16(11-13)18(24)22-15-6-3-2-5-14(15)12-19/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyMOXBVEZKKDJLRZ-UHFFFAOYSA-N
XLogP1.97
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.97
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

4-N-butyl-2-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109079363
2-N-butyl-4-N-(2-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109079552
2-N-(2-methoxyphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082586
2-N-(2,3-dichlorophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082627
2-N-(2-cyanophenyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085583
2-N-(2-cyanophenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091043
2-N-(2-cyanophenyl)-4-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087198
2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082277
2-N-(2,6-diethylphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082568
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
2-(2-cyanoanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251843
4-N-[(2-chlorophenyl)methyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082657

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide (CID 109082631) is 2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide is COCCCNC(=O)c1ccnc(C(=O)Nc2ccccc2C#N)c1.
What is the InChIKey of 2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The InChIKey is MOXBVEZKKDJLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-25-10-4-8-21-17(23)13-7-9-20-16(11-13)18(24)22-15-6-3-2-5-14(15)12-19/h2-3,5-7,9,11H,4,8,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-cyanophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109082631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).