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

C14H21N3O3 — CID 109079379

IUPAC2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)NCCOC)ccn1
InChIInChI=1S/C14H21N3O3/c1-3-4-6-16-14(19)12-10-11(5-7-15-12)13(18)17-8-9-20-2/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyKCAWKVPWCZSOAS-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.99
Rot. Bonds8

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

2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide (PubChem CID 109079379) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
PubChem CID109079379
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
SMILESCCCCNC(=O)c1cc(C(=O)NCCOC)ccn1
InChIInChI=1S/C14H21N3O3/c1-3-4-6-16-14(19)12-10-11(5-7-15-12)13(18)17-8-9-20-2/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyKCAWKVPWCZSOAS-UHFFFAOYSA-N
XLogP0.99
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.99
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
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
2-(butylcarbamoyl)pyridine-4-carboxylic acid
CID 122055000
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319
4-N-[2-(dimethylamino)ethyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082641
2-N-cyclopropyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109078607
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
4-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082154
4-N-[(4-methoxyphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109086884
4-N-butyl-2-N-cyclopentylpyridine-2,4-dicarboxamide
CID 109079185
2-(2-butoxyethylcarbamoyl)pyridine-4-carboxylic acid
CID 122055349
2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109079423

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide (CID 109079379) is 2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide is CCCCNC(=O)c1cc(C(=O)NCCOC)ccn1.
What is the InChIKey of 2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
The InChIKey is KCAWKVPWCZSOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-4-6-16-14(19)12-10-11(5-7-15-12)13(18)17-8-9-20-2/h5,7,10H,3-4,6,8-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide?
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).