2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide

C12H20N4O — CID 62465226

IUPAC2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1ccnc(N)c1
InChIInChI=1S/C12H20N4O/c1-3-14-12(17)9-16(4-2)8-10-5-6-15-11(13)7-10/h5-7H,3-4,8-9H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyQZQGHLCTEWMFFO-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.62
Rot. Bonds6

About 2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide

2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide (PubChem CID 62465226) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide
PubChem CID62465226
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1ccnc(N)c1
InChIInChI=1S/C12H20N4O/c1-3-14-12(17)9-16(4-2)8-10-5-6-15-11(13)7-10/h5-7H,3-4,8-9H2,1-2H3,(H2,13,15)(H,14,17)
InChIKeyQZQGHLCTEWMFFO-UHFFFAOYSA-N
XLogP0.62
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 62465889
2-[(2-amino-2-oxoethyl)-[(2-amino-4-pyridinyl)methyl]amino]acetamide
CID 62923390
2-[[2-(aminomethyl)-4-pyridinyl]methyl-ethylamino]-N-methylacetamide
CID 63887456
2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol
CID 62469740
2-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-N-methylacetamide
CID 55075419
2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 32661950
2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide
CID 54939808
N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
CID 54948657
2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62465174
2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride
CID 120897609
N-ethyl-2-[ethyl-[[4-hydroxy-3-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 82957049
2-[ethyl(pyridin-4-ylmethyl)amino]acetohydrazide
CID 63584522

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide (CID 62465226) is 2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)Cc1ccnc(N)c1.
What is the InChIKey of 2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide?
The InChIKey is QZQGHLCTEWMFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-14-12(17)9-16(4-2)8-10-5-6-15-11(13)7-10/h5-7H,3-4,8-9H2,1-2H3,(H2,13,15)(H,14,17).
What are the key properties of 2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide?
2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide has a molecular weight of 236.32 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 62465226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).