N-(5-chloro-2-pyridinyl)-2-cyano-3-ethoxypent-2-enamide

C13H14ClN3O2 — CID 140862093

IUPACN-(5-chloro-2-pyridinyl)-2-cyano-3-ethoxypent-2-enamide
SMILESCCOC(CC)=C(C#N)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H14ClN3O2/c1-3-11(19-4-2)10(7-15)13(18)17-12-6-5-9(14)8-16-12/h5-6,8H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyGFCZNTCYDDDLDG-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.90
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-2-cyano-3-ethoxypent-2-enamide

N-(5-chloro-2-pyridinyl)-2-cyano-3-ethoxypent-2-enamide (PubChem CID 140862093) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-cyano-3-ethoxypent-2-enamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-cyano-3-ethoxypent-2-enamide
PubChem CID140862093
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC NameN-(5-chloro-2-pyridinyl)-2-cyano-3-ethoxypent-2-enamide
SMILESCCOC(CC)=C(C#N)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H14ClN3O2/c1-3-11(19-4-2)10(7-15)13(18)17-12-6-5-9(14)8-16-12/h5-6,8H,3-4H2,1-2H3,(H,16,17,18)
InChIKeyGFCZNTCYDDDLDG-UHFFFAOYSA-N
XLogP2.90
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-cyano-3-ethoxypent-2-enamide
CID 5109111
(1Z)-2-[(5-chloro-2-pyridinyl)amino]-N-methoxy-2-oxoethanimidoyl cyanide
CID 134122207
2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
CID 152602540
O-ethyl N-(5-chloro-2-pyridinyl)carbamothioate
CID 110182254
ethyl 4-[[(Z)-3-[(5-chloro-2-pyridinyl)amino]-2-cyanoprop-2-enoyl]amino]benzoate
CID 108824234
N'-(5-chloro-2-pyridinyl)oxamide;hydrochloride
CID 22934756
N-(5-chloro-2-pyridinyl)-2-oxoacetamide;methoxyethane
CID 153335046
N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide
CID 34135089
2-amino-N-(5-chloro-2-pyridinyl)butanamide
CID 60779855
ethyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorocyclopentane-1-carboxylate
CID 68893767
1-(5-chloro-2-pyridinyl)-3-propylurea
CID 17276170
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide
CID 113308872

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-cyano-3-ethoxypent-2-enamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-cyano-3-ethoxypent-2-enamide (CID 140862093) is N-(5-chloro-2-pyridinyl)-2-cyano-3-ethoxypent-2-enamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-cyano-3-ethoxypent-2-enamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-cyano-3-ethoxypent-2-enamide is CCOC(CC)=C(C#N)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-cyano-3-ethoxypent-2-enamide?
The InChIKey is GFCZNTCYDDDLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-3-11(19-4-2)10(7-15)13(18)17-12-6-5-9(14)8-16-12/h5-6,8H,3-4H2,1-2H3,(H,16,17,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-cyano-3-ethoxypent-2-enamide?
N-(5-chloro-2-pyridinyl)-2-cyano-3-ethoxypent-2-enamide has a molecular weight of 279.73 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-cyano-3-ethoxypent-2-enamide is sourced from PubChem (CID 140862093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).