(E)-N-(5-chloro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide

C12H9ClN2O2 — CID 6026462

IUPAC(E)-N-(5-chloro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H9ClN2O2/c13-9-3-5-11(14-8-9)15-12(16)6-4-10-2-1-7-17-10/h1-8H,(H,14,15,16)/b6-4+
InChIKeyAPEZOXOLPTZRLN-GQCTYLIASA-N
MW248.67 g/mol
LogP2.98
Rot. Bonds3

About (E)-N-(5-chloro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide

(E)-N-(5-chloro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 6026462) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is (E)-N-(5-chloro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-chloro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide
PubChem CID6026462
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name(E)-N-(5-chloro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1ccc(Cl)cn1
InChIInChI=1S/C12H9ClN2O2/c13-9-3-5-11(14-8-9)15-12(16)6-4-10-2-1-7-17-10/h1-8H,(H,14,15,16)/b6-4+
InChIKeyAPEZOXOLPTZRLN-GQCTYLIASA-N
XLogP2.98
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[(5-chloro-2-pyridinyl)carbamothioyl]-3-(furan-2-yl)prop-2-enamide
CID 2205813
3-(furan-2-yl)-N-[(5-iodo-2-pyridinyl)carbamothioyl]prop-2-enamide
CID 4504040
(E)-N-(3-chloro-4-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 802779
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
N-(5-chloro-2-pyridinyl)prop-2-enamide
CID 43616360
3-(furan-2-yl)-N-(2,3,4-trifluorophenyl)prop-2-enamide
CID 4799293
(E)-N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)prop-2-enamide
CID 779270
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
CID 5122314
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 896951
(E)-N-(5-chloro-2-pyridinyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 10150578
(E)-3-(furan-2-yl)-N-[5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]naphthalen-1-yl]prop-2-enamide
CID 1326165
(E)-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)prop-2-enamide
CID 726241

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-chloro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-(5-chloro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide (CID 6026462) is (E)-N-(5-chloro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-chloro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-chloro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1ccc(Cl)cn1.
What is the InChIKey of (E)-N-(5-chloro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is APEZOXOLPTZRLN-GQCTYLIASA-N. The full InChI is InChI=1S/C12H9ClN2O2/c13-9-3-5-11(14-8-9)15-12(16)6-4-10-2-1-7-17-10/h1-8H,(H,14,15,16)/b6-4+.
What are the key properties of (E)-N-(5-chloro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide?
(E)-N-(5-chloro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 248.67 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-chloro-2-pyridinyl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 6026462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).