2-[4-[[(5-chloro-6-cyano-2-pyridinyl)amino]methyl]phenoxy]acetamide

C15H13ClN4O2 — CID 75424443

IUPAC2-[4-[[(5-chloro-6-cyano-2-pyridinyl)amino]methyl]phenoxy]acetamide
SMILESN#Cc1nc(NCc2ccc(OCC(N)=O)cc2)ccc1Cl
InChIInChI=1S/C15H13ClN4O2/c16-12-5-6-15(20-13(12)7-17)19-8-10-1-3-11(4-2-10)22-9-14(18)21/h1-6H,8-9H2,(H2,18,21)(H,19,20)
InChIKeyQQFVUCRNVUGPAT-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.08
Rot. Bonds6

About 2-[4-[[(5-chloro-6-cyano-2-pyridinyl)amino]methyl]phenoxy]acetamide

2-[4-[[(5-chloro-6-cyano-2-pyridinyl)amino]methyl]phenoxy]acetamide (PubChem CID 75424443) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is 2-[4-[[(5-chloro-6-cyano-2-pyridinyl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[(5-chloro-6-cyano-2-pyridinyl)amino]methyl]phenoxy]acetamide
PubChem CID75424443
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC Name2-[4-[[(5-chloro-6-cyano-2-pyridinyl)amino]methyl]phenoxy]acetamide
SMILESN#Cc1nc(NCc2ccc(OCC(N)=O)cc2)ccc1Cl
InChIInChI=1S/C15H13ClN4O2/c16-12-5-6-15(20-13(12)7-17)19-8-10-1-3-11(4-2-10)22-9-14(18)21/h1-6H,8-9H2,(H2,18,21)(H,19,20)
InChIKeyQQFVUCRNVUGPAT-UHFFFAOYSA-N
XLogP2.08
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(5-chloro-6-cyano-2-pyridinyl)amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[(5-chloro-6-cyano-2-pyridinyl)amino]methyl]phenoxy]acetamide (CID 75424443) is 2-[4-[[(5-chloro-6-cyano-2-pyridinyl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[(5-chloro-6-cyano-2-pyridinyl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[(5-chloro-6-cyano-2-pyridinyl)amino]methyl]phenoxy]acetamide is N#Cc1nc(NCc2ccc(OCC(N)=O)cc2)ccc1Cl.
What is the InChIKey of 2-[4-[[(5-chloro-6-cyano-2-pyridinyl)amino]methyl]phenoxy]acetamide?
The InChIKey is QQFVUCRNVUGPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c16-12-5-6-15(20-13(12)7-17)19-8-10-1-3-11(4-2-10)22-9-14(18)21/h1-6H,8-9H2,(H2,18,21)(H,19,20).
What are the key properties of 2-[4-[[(5-chloro-6-cyano-2-pyridinyl)amino]methyl]phenoxy]acetamide?
2-[4-[[(5-chloro-6-cyano-2-pyridinyl)amino]methyl]phenoxy]acetamide has a molecular weight of 316.75 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(5-chloro-6-cyano-2-pyridinyl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 75424443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).