N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-(1-pyridin-2-ylcyclobutyl)oxyacetamide

C24H31N5O2 — CID 156724066

IUPACN-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-(1-pyridin-2-ylcyclobutyl)oxyacetamide
SMILESCCN(CC(C)N(CC)c1ccc(C#N)cn1)C(=O)COC1(c2ccccn2)CCC1
InChIInChI=1S/C24H31N5O2/c1-4-28(17-19(3)29(5-2)22-11-10-20(15-25)16-27-22)23(30)18-31-24(12-8-13-24)21-9-6-7-14-26-21/h6-7,9-11,14,16,19H,4-5,8,12-13,17-18H2,1-3H3
InChIKeyLKAHMJGSBXQNLP-UHFFFAOYSA-N
MW421.55 g/mol
LogP3.51
Rot. Bonds10

About N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-(1-pyridin-2-ylcyclobutyl)oxyacetamide

N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-(1-pyridin-2-ylcyclobutyl)oxyacetamide (PubChem CID 156724066) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-(1-pyridin-2-ylcyclobutyl)oxyacetamide.

Molecular Properties

Compound NameN-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-(1-pyridin-2-ylcyclobutyl)oxyacetamide
PubChem CID156724066
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC NameN-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-(1-pyridin-2-ylcyclobutyl)oxyacetamide
SMILESCCN(CC(C)N(CC)c1ccc(C#N)cn1)C(=O)COC1(c2ccccn2)CCC1
InChIInChI=1S/C24H31N5O2/c1-4-28(17-19(3)29(5-2)22-11-10-20(15-25)16-27-22)23(30)18-31-24(12-8-13-24)21-9-6-7-14-26-21/h6-7,9-11,14,16,19H,4-5,8,12-13,17-18H2,1-3H3
InChIKeyLKAHMJGSBXQNLP-UHFFFAOYSA-N
XLogP3.51
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-(1-pyridin-2-ylcyclobutyl)oxyacetamide with MolForge

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Related Compounds

N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 156724065
2-(4-cyanophenoxy)-N-ethyl-N-(2-methylpropyl)acetamide
CID 43243455
3-[(5-cyano-2-pyridinyl)-propan-2-ylamino]propanoic acid
CID 54925557
N-[(E)-2-[(5-cyano-2-pyridinyl)-ethylamino]prop-1-enyl]-2-[1-(3,5-difluoro-2-methoxy-4-pyridinyl)cyclobutyl]oxyacetamide
CID 156724051
2-[(5-cyano-2-pyridinyl)-methylamino]-N-cyclopropyl-N-(pyridin-2-ylmethyl)acetamide
CID 47879783
2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid
CID 63064843
N-(5-cyano-2-pyridinyl)-2-ethyl-N-methylbutanamide
CID 115268044
N-benzyl-N-(5-cyano-2-pyridinyl)-2-(cyclopropylmethoxy)acetamide
CID 126828958
3-[[2-(2-cyanophenoxy)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62827727
6-[(2-aminophenyl)methyl-propan-2-ylamino]pyridine-3-carbonitrile
CID 60874951
3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid
CID 55123242
N-(5-cyano-2-pyridinyl)-3-cyclopentyl-N-methylpropanamide
CID 115273575

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-(1-pyridin-2-ylcyclobutyl)oxyacetamide?
The IUPAC name of N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-(1-pyridin-2-ylcyclobutyl)oxyacetamide (CID 156724066) is N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-(1-pyridin-2-ylcyclobutyl)oxyacetamide.
What is the SMILES notation for N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-(1-pyridin-2-ylcyclobutyl)oxyacetamide?
The canonical SMILES for N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-(1-pyridin-2-ylcyclobutyl)oxyacetamide is CCN(CC(C)N(CC)c1ccc(C#N)cn1)C(=O)COC1(c2ccccn2)CCC1.
What is the InChIKey of N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-(1-pyridin-2-ylcyclobutyl)oxyacetamide?
The InChIKey is LKAHMJGSBXQNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-4-28(17-19(3)29(5-2)22-11-10-20(15-25)16-27-22)23(30)18-31-24(12-8-13-24)21-9-6-7-14-26-21/h6-7,9-11,14,16,19H,4-5,8,12-13,17-18H2,1-3H3.
What are the key properties of N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-(1-pyridin-2-ylcyclobutyl)oxyacetamide?
N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-(1-pyridin-2-ylcyclobutyl)oxyacetamide has a molecular weight of 421.55 g/mol, XLogP of 3.51, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-cyano-2-pyridinyl)-ethylamino]propyl]-N-ethyl-2-(1-pyridin-2-ylcyclobutyl)oxyacetamide is sourced from PubChem (CID 156724066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).