N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide

C12H20N4O — CID 82331443

IUPACN-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNc1ccc(N)cn1
InChIInChI=1S/C12H20N4O/c1-12(2,3)11(17)15-7-6-14-10-5-4-9(13)8-16-10/h4-5,8H,6-7,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyPYHZWSSYFXTPFC-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.24
Rot. Bonds4

About N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide

N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 82331443) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide
PubChem CID82331443
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCNc1ccc(N)cn1
InChIInChI=1S/C12H20N4O/c1-12(2,3)11(17)15-7-6-14-10-5-4-9(13)8-16-10/h4-5,8H,6-7,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyPYHZWSSYFXTPFC-UHFFFAOYSA-N
XLogP1.24
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine
CID 43345
Propiram
CID 26216
N-Phenyl-N'-2-pyridinylurea
CID 221427
2-Acetamidopyridine
CID 72929
Pyrido(2,3-b)pyrazine-2,3-diol
CID 74947
N-Cyclohexyl-N'-2-pyridinylurea
CID 99760
N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine
CID 43344
3-Pyridyl pinacidil
CID 43347
Guanidine, 2-cyano-1-neopentyl-3-(3-pyridyl)-
CID 3042790
N1,N1-Dimethyl-N2-2-pyridinyl-1,2-ethanediamine
CID 90273
N-(pyridin-2-yl)prop-2-enamide
CID 9920419
N,N'-Bis(2-pyridyl)oxalamide
CID 1927420

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide (CID 82331443) is N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCNc1ccc(N)cn1.
What is the InChIKey of N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is PYHZWSSYFXTPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(2,3)11(17)15-7-6-14-10-5-4-9(13)8-16-10/h4-5,8H,6-7,13H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 236.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-amino-2-pyridinyl)amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 82331443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).