N-(6-fluoro-3-pyridinyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide

C15H14FN3O3 — CID 75383403

IUPACN-(6-fluoro-3-pyridinyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
SMILESO=C(/C=C/c1ccco1)NCCC(=O)Nc1ccc(F)nc1
InChIInChI=1S/C15H14FN3O3/c16-13-5-3-11(10-18-13)19-15(21)7-8-17-14(20)6-4-12-2-1-9-22-12/h1-6,9-10H,7-8H2,(H,17,20)(H,19,21)/b6-4+
InChIKeyIFKRNEBAKZLOGE-GQCTYLIASA-N
MW303.29 g/mol
LogP1.97
Rot. Bonds6

About N-(6-fluoro-3-pyridinyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide

N-(6-fluoro-3-pyridinyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide (PubChem CID 75383403) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
PubChem CID75383403
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC NameN-(6-fluoro-3-pyridinyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
SMILESO=C(/C=C/c1ccco1)NCCC(=O)Nc1ccc(F)nc1
InChIInChI=1S/C15H14FN3O3/c16-13-5-3-11(10-18-13)19-15(21)7-8-17-14(20)6-4-12-2-1-9-22-12/h1-6,9-10H,7-8H2,(H,17,20)(H,19,21)/b6-4+
InChIKeyIFKRNEBAKZLOGE-GQCTYLIASA-N
XLogP1.97
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide
CID 55802124
N-[3-(difluoromethoxy)phenyl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
CID 55742167
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7700192
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
CID 38999849
2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide
CID 56789002
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide
CID 59509588
4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 92958877
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 55891984

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide (CID 75383403) is N-(6-fluoro-3-pyridinyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide is O=C(/C=C/c1ccco1)NCCC(=O)Nc1ccc(F)nc1.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide?
The InChIKey is IFKRNEBAKZLOGE-GQCTYLIASA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-13-5-3-11(10-18-13)19-15(21)7-8-17-14(20)6-4-12-2-1-9-22-12/h1-6,9-10H,7-8H2,(H,17,20)(H,19,21)/b6-4+.
What are the key properties of N-(6-fluoro-3-pyridinyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide?
N-(6-fluoro-3-pyridinyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide has a molecular weight of 303.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide is sourced from PubChem (CID 75383403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).