2-[(5-cyano-2-pyridinyl)-methylamino]-N-[3-(4-methylphenoxy)propyl]acetamide

C19H22N4O2 — CID 51106861

IUPAC2-[(5-cyano-2-pyridinyl)-methylamino]-N-[3-(4-methylphenoxy)propyl]acetamide
SMILESCc1ccc(OCCCNC(=O)CN(C)c2ccc(C#N)cn2)cc1
InChIInChI=1S/C19H22N4O2/c1-15-4-7-17(8-5-15)25-11-3-10-21-19(24)14-23(2)18-9-6-16(12-20)13-22-18/h4-9,13H,3,10-11,14H2,1-2H3,(H,21,24)
InChIKeyLGZSJBPTELHUKG-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.28
Rot. Bonds8

About 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[3-(4-methylphenoxy)propyl]acetamide

2-[(5-cyano-2-pyridinyl)-methylamino]-N-[3-(4-methylphenoxy)propyl]acetamide (PubChem CID 51106861) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[3-(4-methylphenoxy)propyl]acetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-[3-(4-methylphenoxy)propyl]acetamide
PubChem CID51106861
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-[3-(4-methylphenoxy)propyl]acetamide
SMILESCc1ccc(OCCCNC(=O)CN(C)c2ccc(C#N)cn2)cc1
InChIInChI=1S/C19H22N4O2/c1-15-4-7-17(8-5-15)25-11-3-10-21-19(24)14-23(2)18-9-6-16(12-20)13-22-18/h4-9,13H,3,10-11,14H2,1-2H3,(H,21,24)
InChIKeyLGZSJBPTELHUKG-UHFFFAOYSA-N
XLogP2.28
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[3-(4-methylphenoxy)propyl]acetamide?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[3-(4-methylphenoxy)propyl]acetamide (CID 51106861) is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[3-(4-methylphenoxy)propyl]acetamide.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[3-(4-methylphenoxy)propyl]acetamide?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[3-(4-methylphenoxy)propyl]acetamide is Cc1ccc(OCCCNC(=O)CN(C)c2ccc(C#N)cn2)cc1.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[3-(4-methylphenoxy)propyl]acetamide?
The InChIKey is LGZSJBPTELHUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-15-4-7-17(8-5-15)25-11-3-10-21-19(24)14-23(2)18-9-6-16(12-20)13-22-18/h4-9,13H,3,10-11,14H2,1-2H3,(H,21,24).
What are the key properties of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[3-(4-methylphenoxy)propyl]acetamide?
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[3-(4-methylphenoxy)propyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[3-(4-methylphenoxy)propyl]acetamide is sourced from PubChem (CID 51106861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).