2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide

C12H20N4O — CID 113408299

IUPAC2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Nc1cc(N)ccn1
InChIInChI=1S/C12H20N4O/c1-4-16(5-2)12(17)9(3)15-11-8-10(13)6-7-14-11/h6-9H,4-5H2,1-3H3,(H3,13,14,15)
InChIKeyYNGAZXKRLPWZOT-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.33
Rot. Bonds5

About 2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide

2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide (PubChem CID 113408299) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide
PubChem CID113408299
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Nc1cc(N)ccn1
InChIInChI=1S/C12H20N4O/c1-4-16(5-2)12(17)9(3)15-11-8-10(13)6-7-14-11/h6-9H,4-5H2,1-3H3,(H3,13,14,15)
InChIKeyYNGAZXKRLPWZOT-UHFFFAOYSA-N
XLogP1.33
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide?
The IUPAC name of 2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide (CID 113408299) is 2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Nc1cc(N)ccn1.
What is the InChIKey of 2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide?
The InChIKey is YNGAZXKRLPWZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-16(5-2)12(17)9(3)15-11-8-10(13)6-7-14-11/h6-9H,4-5H2,1-3H3,(H3,13,14,15).
What are the key properties of 2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide?
2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide has a molecular weight of 236.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 113408299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).