N-[5-[[(E)-4-fluorobut-2-enoyl]amino]-2-pyridinyl]cyclopropanecarboxamide

C13H14FN3O2 — CID 167942183

IUPACN-[5-[[(E)-4-fluorobut-2-enoyl]amino]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(/C=C/CF)Nc1ccc(NC(=O)C2CC2)nc1
InChIInChI=1S/C13H14FN3O2/c14-7-1-2-12(18)16-10-5-6-11(15-8-10)17-13(19)9-3-4-9/h1-2,5-6,8-9H,3-4,7H2,(H,16,18)(H,15,17,19)/b2-1+
InChIKeyKJBIZQHFAOVEMW-OWOJBTEDSA-N
MW263.27 g/mol
LogP1.89
Rot. Bonds5

About N-[5-[[(E)-4-fluorobut-2-enoyl]amino]-2-pyridinyl]cyclopropanecarboxamide

N-[5-[[(E)-4-fluorobut-2-enoyl]amino]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 167942183) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-[5-[[(E)-4-fluorobut-2-enoyl]amino]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[[(E)-4-fluorobut-2-enoyl]amino]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID167942183
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC NameN-[5-[[(E)-4-fluorobut-2-enoyl]amino]-2-pyridinyl]cyclopropanecarboxamide
SMILESO=C(/C=C/CF)Nc1ccc(NC(=O)C2CC2)nc1
InChIInChI=1S/C13H14FN3O2/c14-7-1-2-12(18)16-10-5-6-11(15-8-10)17-13(19)9-3-4-9/h1-2,5-6,8-9H,3-4,7H2,(H,16,18)(H,15,17,19)/b2-1+
InChIKeyKJBIZQHFAOVEMW-OWOJBTEDSA-N
XLogP1.89
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(3-aminopropanoylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 119879406
N-[5-(cyclopropylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113023685
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113027861
N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036819
N-[6-(propylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 113009028
N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113035182
N-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide
CID 113024024
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrazine-2-carboxamide
CID 1452900
1-amino-N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]cyclohexane-1-carboxamide
CID 119879398
N-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 56784483
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-[5-[(2-amino-2-methylpentanoyl)amino]-2-pyridinyl]cyclopropanecarboxamide
CID 119879412

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(E)-4-fluorobut-2-enoyl]amino]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[[(E)-4-fluorobut-2-enoyl]amino]-2-pyridinyl]cyclopropanecarboxamide (CID 167942183) is N-[5-[[(E)-4-fluorobut-2-enoyl]amino]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[[(E)-4-fluorobut-2-enoyl]amino]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[[(E)-4-fluorobut-2-enoyl]amino]-2-pyridinyl]cyclopropanecarboxamide is O=C(/C=C/CF)Nc1ccc(NC(=O)C2CC2)nc1.
What is the InChIKey of N-[5-[[(E)-4-fluorobut-2-enoyl]amino]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is KJBIZQHFAOVEMW-OWOJBTEDSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-7-1-2-12(18)16-10-5-6-11(15-8-10)17-13(19)9-3-4-9/h1-2,5-6,8-9H,3-4,7H2,(H,16,18)(H,15,17,19)/b2-1+.
What are the key properties of N-[5-[[(E)-4-fluorobut-2-enoyl]amino]-2-pyridinyl]cyclopropanecarboxamide?
N-[5-[[(E)-4-fluorobut-2-enoyl]amino]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 263.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(E)-4-fluorobut-2-enoyl]amino]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 167942183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).