2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide

C10H13ClFN3O — CID 79728652

IUPAC2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ncc(Cl)cc1F
InChIInChI=1S/C10H13ClFN3O/c1-3-13-10(16)6(2)15-9-8(12)4-7(11)5-14-9/h4-6H,3H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyRFWUPSIVCBOFDH-UHFFFAOYSA-N
MW245.68 g/mol
LogP1.81
Rot. Bonds4

About 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide

2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide (PubChem CID 79728652) has the molecular formula C10H13ClFN3O and a molecular weight of 245.68 g/mol. Its IUPAC name is 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide
PubChem CID79728652
Molecular FormulaC10H13ClFN3O
Molecular Weight245.68 g/mol
Exact Mass245.07
IUPAC Name2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Nc1ncc(Cl)cc1F
InChIInChI=1S/C10H13ClFN3O/c1-3-13-10(16)6(2)15-9-8(12)4-7(11)5-14-9/h4-6H,3H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyRFWUPSIVCBOFDH-UHFFFAOYSA-N
XLogP1.81
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.68
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide?
The IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide (CID 79728652) is 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide?
The canonical SMILES for 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide is CCNC(=O)C(C)Nc1ncc(Cl)cc1F.
What is the InChIKey of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide?
The InChIKey is RFWUPSIVCBOFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O/c1-3-13-10(16)6(2)15-9-8(12)4-7(11)5-14-9/h4-6H,3H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide?
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide has a molecular weight of 245.68 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-ethylpropanamide is sourced from PubChem (CID 79728652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).