4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide

C17H20N4O3 — CID 109082510

IUPAC4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCOCCCNC(=O)c1ccnc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C17H20N4O3/c1-24-9-3-7-20-16(22)14-5-8-19-15(10-14)17(23)21-12-13-4-2-6-18-11-13/h2,4-6,8,10-11H,3,7,9,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyAVEGJNZKLDDMDD-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.17
Rot. Bonds8

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

4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109082510) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109082510
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCOCCCNC(=O)c1ccnc(C(=O)NCc2cccnc2)c1
InChIInChI=1S/C17H20N4O3/c1-24-9-3-7-20-16(22)14-5-8-19-15(10-14)17(23)21-12-13-4-2-6-18-11-13/h2,4-6,8,10-11H,3,7,9,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyAVEGJNZKLDDMDD-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

2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082506
2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109095843
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109085686
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087317
2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082650
N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3113992
4-N-[(2-chlorophenyl)methyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082657
2-N-(3,4-dimethoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087380
4-N-[2-(dimethylamino)ethyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082641
2-N-(4-acetylphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087382

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide (CID 109082510) is 4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide is COCCCNC(=O)c1ccnc(C(=O)NCc2cccnc2)c1.
What is the InChIKey of 4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is AVEGJNZKLDDMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-24-9-3-7-20-16(22)14-5-8-19-15(10-14)17(23)21-12-13-4-2-6-18-11-13/h2,4-6,8,10-11H,3,7,9,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide?
4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-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 4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109082510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).