4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide

C14H19N3O2 — CID 109079060

IUPAC4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1cc(C(=O)NC(C)(C)C)ccn1
InChIInChI=1S/C14H19N3O2/c1-5-7-16-13(19)11-9-10(6-8-15-11)12(18)17-14(2,3)4/h5-6,8-9H,1,7H2,2-4H3,(H,16,19)(H,17,18)
InChIKeyWJOHJIHJEXOCTK-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.53
Rot. Bonds4

About 4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide

4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide (PubChem CID 109079060) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide
PubChem CID109079060
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide
SMILESC=CCNC(=O)c1cc(C(=O)NC(C)(C)C)ccn1
InChIInChI=1S/C14H19N3O2/c1-5-7-16-13(19)11-9-10(6-8-15-11)12(18)17-14(2,3)4/h5-6,8-9H,1,7H2,2-4H3,(H,16,19)(H,17,18)
InChIKeyWJOHJIHJEXOCTK-UHFFFAOYSA-N
XLogP1.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(4-acetylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079128
4-N-cycloheptyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079061
2-N-(2,5-dimethylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078888
4-N-(2,4-dimethylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079081
2-N-(2-phenylethyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078831
2-N-[(3-methylphenyl)methyl]-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078816
4-N-tert-butyl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,4-dicarboxamide
CID 109089109
4-N-(2-propan-2-ylphenyl)-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079091
2-N-(3-phenylpropyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078863
2-N-(4-chloro-2-methylphenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078911
4-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079135
2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078904

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide (CID 109079060) is 4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide is C=CCNC(=O)c1cc(C(=O)NC(C)(C)C)ccn1.
What is the InChIKey of 4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
The InChIKey is WJOHJIHJEXOCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-5-7-16-13(19)11-9-10(6-8-15-11)12(18)17-14(2,3)4/h5-6,8-9H,1,7H2,2-4H3,(H,16,19)(H,17,18).
What are the key properties of 4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide?
4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).