N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide

C12H20N4O — CID 54948657

IUPACN-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)NCCN)Cc1ccncc1
InChIInChI=1S/C12H20N4O/c1-2-16(10-12(17)15-8-5-13)9-11-3-6-14-7-4-11/h3-4,6-7H,2,5,8-10,13H2,1H3,(H,15,17)
InChIKeyMOKVSSASRKDGNR-UHFFFAOYSA-N
MW236.32 g/mol
LogP-0.02
Rot. Bonds7

About N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide

N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide (PubChem CID 54948657) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
PubChem CID54948657
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
SMILESCCN(CC(=O)NCCN)Cc1ccncc1
InChIInChI=1S/C12H20N4O/c1-2-16(10-12(17)15-8-5-13)9-11-3-6-14-7-4-11/h3-4,6-7H,2,5,8-10,13H2,1H3,(H,15,17)
InChIKeyMOKVSSASRKDGNR-UHFFFAOYSA-N
XLogP-0.02
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(pyridin-4-ylmethyl)amino]acetohydrazide
CID 63584522
N-(2-aminophenyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
CID 61450643
3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63584520
1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one
CID 107507295
2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide
CID 62465226
3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide
CID 55213852
propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate
CID 54940295
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 62052112
2-[[2-(aminomethyl)-4-pyridinyl]methyl-ethylamino]-N-methylacetamide
CID 63887456
methyl 3-[[2-[benzyl(ethyl)amino]acetyl]amino]propanoate
CID 78815356
3-[2-oxopropyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82329113
2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide
CID 54939808

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide (CID 54948657) is N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide is CCN(CC(=O)NCCN)Cc1ccncc1.
What is the InChIKey of N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide?
The InChIKey is MOKVSSASRKDGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-16(10-12(17)15-8-5-13)9-11-3-6-14-7-4-11/h3-4,6-7H,2,5,8-10,13H2,1H3,(H,15,17).
What are the key properties of N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide?
N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide has a molecular weight of 236.32 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 54948657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).