N-tert-butyl-6-chloro-3-[(E)-2-ethoxyethenyl]pyridine-2-carboxamide

C14H19ClN2O2 — CID 165400822

IUPACN-tert-butyl-6-chloro-3-[(E)-2-ethoxyethenyl]pyridine-2-carboxamide
SMILESCCO/C=C/c1ccc(Cl)nc1C(=O)NC(C)(C)C
InChIInChI=1S/C14H19ClN2O2/c1-5-19-9-8-10-6-7-11(15)16-12(10)13(18)17-14(2,3)4/h6-9H,5H2,1-4H3,(H,17,18)/b9-8+
InChIKeyJYTNHCPYWYPVCL-CMDGGOBGSA-N
MW282.77 g/mol
LogP3.27
Rot. Bonds4

About N-tert-butyl-6-chloro-3-[(E)-2-ethoxyethenyl]pyridine-2-carboxamide

N-tert-butyl-6-chloro-3-[(E)-2-ethoxyethenyl]pyridine-2-carboxamide (PubChem CID 165400822) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-tert-butyl-6-chloro-3-[(E)-2-ethoxyethenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-chloro-3-[(E)-2-ethoxyethenyl]pyridine-2-carboxamide
PubChem CID165400822
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-tert-butyl-6-chloro-3-[(E)-2-ethoxyethenyl]pyridine-2-carboxamide
SMILESCCO/C=C/c1ccc(Cl)nc1C(=O)NC(C)(C)C
InChIInChI=1S/C14H19ClN2O2/c1-5-19-9-8-10-6-7-11(15)16-12(10)13(18)17-14(2,3)4/h6-9H,5H2,1-4H3,(H,17,18)/b9-8+
InChIKeyJYTNHCPYWYPVCL-CMDGGOBGSA-N
XLogP3.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3,6-dichloro-N-(1-methoxy-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 115606622
3-[[2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-yl]amino]propanamide
CID 87563176
3-(3-acetamidoprop-1-enyl)-6-chloropyridine-2-carboxylic acid
CID 169465848
methyl 2-chloro-6-(2-ethoxyethenyl)pyridine-4-carboxylate
CID 173129747
methyl 2-[(E)-2-ethoxyethenyl]benzoate
CID 146567603
3,6-dichloro-N-(1,1-diphenylethyl)pyridine-2-carboxamide
CID 56522893
3-[(E)-2-ethoxyethenyl]-N-methylthiophene-2-carboxamide
CID 178070903
3,6-dichloro-N-(2-hydroxy-2-methylbutyl)pyridine-2-carboxamide
CID 65107168
2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-amine
CID 11287109
tert-butyl 6-chloro-2-ethylpyridine-3-carboxylate
CID 166815331
N-tert-butyl-2-chloro-6-methylpyrimidine-4-carboxamide
CID 102538215
5-chloro-2-(2-ethoxyethenyl)-4-(trifluoromethyl)benzamide
CID 175813709

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-chloro-3-[(E)-2-ethoxyethenyl]pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-6-chloro-3-[(E)-2-ethoxyethenyl]pyridine-2-carboxamide (CID 165400822) is N-tert-butyl-6-chloro-3-[(E)-2-ethoxyethenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-6-chloro-3-[(E)-2-ethoxyethenyl]pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-6-chloro-3-[(E)-2-ethoxyethenyl]pyridine-2-carboxamide is CCO/C=C/c1ccc(Cl)nc1C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-6-chloro-3-[(E)-2-ethoxyethenyl]pyridine-2-carboxamide?
The InChIKey is JYTNHCPYWYPVCL-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-5-19-9-8-10-6-7-11(15)16-12(10)13(18)17-14(2,3)4/h6-9H,5H2,1-4H3,(H,17,18)/b9-8+.
What are the key properties of N-tert-butyl-6-chloro-3-[(E)-2-ethoxyethenyl]pyridine-2-carboxamide?
N-tert-butyl-6-chloro-3-[(E)-2-ethoxyethenyl]pyridine-2-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-chloro-3-[(E)-2-ethoxyethenyl]pyridine-2-carboxamide is sourced from PubChem (CID 165400822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).