N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)pentanamide

C13H18N4O2 — CID 11615890

IUPACN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)pentanamide
SMILESCCCCC(=O)Nc1cc(N)c(C#N)c(OCC)n1
InChIInChI=1S/C13H18N4O2/c1-3-5-6-12(18)16-11-7-10(15)9(8-14)13(17-11)19-4-2/h7H,3-6H2,1-2H3,(H3,15,16,17,18)
InChIKeyOHRMONDIKHEVCZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.06
Rot. Bonds6

About N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)pentanamide

N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)pentanamide (PubChem CID 11615890) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)pentanamide.

Molecular Properties

Compound NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)pentanamide
PubChem CID11615890
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)pentanamide
SMILESCCCCC(=O)Nc1cc(N)c(C#N)c(OCC)n1
InChIInChI=1S/C13H18N4O2/c1-3-5-6-12(18)16-11-7-10(15)9(8-14)13(17-11)19-4-2/h7H,3-6H2,1-2H3,(H3,15,16,17,18)
InChIKeyOHRMONDIKHEVCZ-UHFFFAOYSA-N
XLogP2.06
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)pentanamide?
The IUPAC name of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)pentanamide (CID 11615890) is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)pentanamide.
What is the SMILES notation for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)pentanamide?
The canonical SMILES for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)pentanamide is CCCCC(=O)Nc1cc(N)c(C#N)c(OCC)n1.
What is the InChIKey of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)pentanamide?
The InChIKey is OHRMONDIKHEVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-5-6-12(18)16-11-7-10(15)9(8-14)13(17-11)19-4-2/h7H,3-6H2,1-2H3,(H3,15,16,17,18).
What are the key properties of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)pentanamide?
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)pentanamide has a molecular weight of 262.31 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)pentanamide is sourced from PubChem (CID 11615890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).