N-[2-[(6-amino-2-pyridinyl)-methylamino]ethyl]prop-2-enamide

C11H16N4O — CID 118117179

IUPACN-[2-[(6-amino-2-pyridinyl)-methylamino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN(C)c1cccc(N)n1
InChIInChI=1S/C11H16N4O/c1-3-11(16)13-7-8-15(2)10-6-4-5-9(12)14-10/h3-6H,1,7-8H2,2H3,(H2,12,14)(H,13,16)
InChIKeyWNBQRGDEVZGPIC-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.40
Rot. Bonds5

About N-[2-[(6-amino-2-pyridinyl)-methylamino]ethyl]prop-2-enamide

N-[2-[(6-amino-2-pyridinyl)-methylamino]ethyl]prop-2-enamide (PubChem CID 118117179) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[2-[(6-amino-2-pyridinyl)-methylamino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[(6-amino-2-pyridinyl)-methylamino]ethyl]prop-2-enamide
PubChem CID118117179
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-[2-[(6-amino-2-pyridinyl)-methylamino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN(C)c1cccc(N)n1
InChIInChI=1S/C11H16N4O/c1-3-11(16)13-7-8-15(2)10-6-4-5-9(12)14-10/h3-6H,1,7-8H2,2H3,(H2,12,14)(H,13,16)
InChIKeyWNBQRGDEVZGPIC-UHFFFAOYSA-N
XLogP0.40
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-amino-2-pyridinyl)-methylamino]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[(6-amino-2-pyridinyl)-methylamino]ethyl]prop-2-enamide (CID 118117179) is N-[2-[(6-amino-2-pyridinyl)-methylamino]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[(6-amino-2-pyridinyl)-methylamino]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[(6-amino-2-pyridinyl)-methylamino]ethyl]prop-2-enamide is C=CC(=O)NCCN(C)c1cccc(N)n1.
What is the InChIKey of N-[2-[(6-amino-2-pyridinyl)-methylamino]ethyl]prop-2-enamide?
The InChIKey is WNBQRGDEVZGPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-11(16)13-7-8-15(2)10-6-4-5-9(12)14-10/h3-6H,1,7-8H2,2H3,(H2,12,14)(H,13,16).
What are the key properties of N-[2-[(6-amino-2-pyridinyl)-methylamino]ethyl]prop-2-enamide?
N-[2-[(6-amino-2-pyridinyl)-methylamino]ethyl]prop-2-enamide has a molecular weight of 220.28 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-amino-2-pyridinyl)-methylamino]ethyl]prop-2-enamide is sourced from PubChem (CID 118117179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).