2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide

C13H17N3O3 — CID 109078607

IUPAC2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
SMILESCOCCNC(=O)c1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C13H17N3O3/c1-19-7-6-15-12(17)9-4-5-14-11(8-9)13(18)16-10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyMFKIOLLXQVOQJT-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.35
Rot. Bonds6

About 2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide

2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide (PubChem CID 109078607) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
PubChem CID109078607
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
SMILESCOCCNC(=O)c1ccnc(C(=O)NC2CC2)c1
InChIInChI=1S/C13H17N3O3/c1-19-7-6-15-12(17)9-4-5-14-11(8-9)13(18)16-10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyMFKIOLLXQVOQJT-UHFFFAOYSA-N
XLogP0.35
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.35
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

2-N-(2-methoxyethyl)-4-N-pentylpyridine-2,4-dicarboxamide
CID 109082372
4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109079185
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
4-N-butan-2-yl-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078600
2-N-cyclopropyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109078635
2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109081527
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319
4-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082154
2-N-butan-2-yl-4-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078405
N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109201692
4-N-[2-(3-chlorophenyl)ethyl]-2-N-cyclopropylpyridine-2,4-dicarboxamide
CID 109078681
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide (CID 109078607) is 2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide is COCCNC(=O)c1ccnc(C(=O)NC2CC2)c1.
What is the InChIKey of 2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
The InChIKey is MFKIOLLXQVOQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-19-7-6-15-12(17)9-4-5-14-11(8-9)13(18)16-10-2-3-10/h4-5,8,10H,2-3,6-7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109078607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).