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

C12H20N4O — CID 62465889

IUPAC2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)Cc1ccnc(N)c1
InChIInChI=1S/C12H20N4O/c1-4-16(9-12(17)15(2)3)8-10-5-6-14-11(13)7-10/h5-7H,4,8-9H2,1-3H3,(H2,13,14)
InChIKeyBZTNVOKVBXVXPK-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.57
Rot. Bonds5

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

2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N,N-dimethylacetamide (PubChem CID 62465889) 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,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N,N-dimethylacetamide
PubChem CID62465889
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)Cc1ccnc(N)c1
InChIInChI=1S/C12H20N4O/c1-4-16(9-12(17)15(2)3)8-10-5-6-14-11(13)7-10/h5-7H,4,8-9H2,1-3H3,(H2,13,14)
InChIKeyBZTNVOKVBXVXPK-UHFFFAOYSA-N
XLogP0.57
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide
CID 62465226
2-[(2-amino-2-oxoethyl)-[(2-amino-4-pyridinyl)methyl]amino]acetamide
CID 62923390
2-[(2-amino-4-pyridinyl)methyl-ethylamino]ethanol
CID 62469740
2-[(4-aminophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 43458823
2-[(2-chloro-4-pyridinyl)methyl-propylamino]-N,N-dimethylacetamide
CID 62305807
4-[(dimethylamino)methyl]pyridin-2-amine
CID 45088278
2-[(5-aminopyrazin-2-yl)methyl-ethylamino]-N,N-dimethylacetamide
CID 103056034
2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide
CID 47053554
2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide
CID 82978813
2-[[2-(aminomethyl)-4-pyridinyl]methyl-ethylamino]-N-methylacetamide
CID 63887456
ethane;4-ethylpyridin-2-amine
CID 144736585
2-[(4-carbamothioyl-3-methoxyphenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 106788800

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N,N-dimethylacetamide (CID 62465889) is 2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)Cc1ccnc(N)c1.
What is the InChIKey of 2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N,N-dimethylacetamide?
The InChIKey is BZTNVOKVBXVXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-16(9-12(17)15(2)3)8-10-5-6-14-11(13)7-10/h5-7H,4,8-9H2,1-3H3,(H2,13,14).
What are the key properties of 2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N,N-dimethylacetamide?
2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N,N-dimethylacetamide has a molecular weight of 236.32 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 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,N-dimethylacetamide is sourced from PubChem (CID 62465889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).