N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide

C13H13ClFN5O2 — CID 168880176

IUPACN-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide
SMILESCNc1c(N)ncc(Oc2cc(NC(C)=O)ncc2F)c1Cl
InChIInChI=1S/C13H13ClFN5O2/c1-6(21)20-10-3-8(7(15)4-18-10)22-9-5-19-13(16)12(17-2)11(9)14/h3-5,17H,1-2H3,(H2,16,19)(H,18,20,21)
InChIKeyPOEQXCNJASXPDO-UHFFFAOYSA-N
MW325.73 g/mol
LogP2.64
Rot. Bonds4

About N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide

N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide (PubChem CID 168880176) has the molecular formula C13H13ClFN5O2 and a molecular weight of 325.73 g/mol. Its IUPAC name is N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide
PubChem CID168880176
Molecular FormulaC13H13ClFN5O2
Molecular Weight325.73 g/mol
Exact Mass325.07
IUPAC NameN-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide
SMILESCNc1c(N)ncc(Oc2cc(NC(C)=O)ncc2F)c1Cl
InChIInChI=1S/C13H13ClFN5O2/c1-6(21)20-10-3-8(7(15)4-18-10)22-9-5-19-13(16)12(17-2)11(9)14/h3-5,17H,1-2H3,(H2,16,19)(H,18,20,21)
InChIKeyPOEQXCNJASXPDO-UHFFFAOYSA-N
XLogP2.64
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.73
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide (CID 168880176) is N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide is CNc1c(N)ncc(Oc2cc(NC(C)=O)ncc2F)c1Cl.
What is the InChIKey of N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide?
The InChIKey is POEQXCNJASXPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN5O2/c1-6(21)20-10-3-8(7(15)4-18-10)22-9-5-19-13(16)12(17-2)11(9)14/h3-5,17H,1-2H3,(H2,16,19)(H,18,20,21).
What are the key properties of N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide?
N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide has a molecular weight of 325.73 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]-5-fluoro-2-pyridinyl]acetamide is sourced from PubChem (CID 168880176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).