2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide

C13H22N4O — CID 64589162

IUPAC2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1cccc(CN)n1
InChIInChI=1S/C13H22N4O/c1-4-17(9-13(18)15-10(2)3)12-7-5-6-11(8-14)16-12/h5-7,10H,4,8-9,14H2,1-3H3,(H,15,18)
InChIKeyXJOHECUPCQLOQX-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.89
Rot. Bonds6

About 2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide

2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide (PubChem CID 64589162) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide
PubChem CID64589162
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1cccc(CN)n1
InChIInChI=1S/C13H22N4O/c1-4-17(9-13(18)15-10(2)3)12-7-5-6-11(8-14)16-12/h5-7,10H,4,8-9,14H2,1-3H3,(H,15,18)
InChIKeyXJOHECUPCQLOQX-UHFFFAOYSA-N
XLogP0.89
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80805603
2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide
CID 113412169
2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide
CID 114879565
2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80632069
2-[ethyl-[(6-hydrazinyl-2-pyridinyl)methyl]amino]-N-propan-2-ylacetamide
CID 79242850
N-ethyl-N-(2-methylprop-2-enyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62279989
2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide
CID 54986290
2-[(6-bromo-7-fluoroquinolin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 133382196
2-amino-3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoic acid
CID 115545429
2-[4-(aminomethyl)-N-ethyl-3-fluoroanilino]-N-propan-2-ylacetamide
CID 115366775
2-[(4-cyanopyrimidin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 107544048
2-[ethyl-[6-(1-hydroxypropyl)-3-pyridinyl]amino]-N-propan-2-ylacetamide
CID 115940411

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide (CID 64589162) is 2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1cccc(CN)n1.
What is the InChIKey of 2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is XJOHECUPCQLOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-17(9-13(18)15-10(2)3)12-7-5-6-11(8-14)16-12/h5-7,10H,4,8-9,14H2,1-3H3,(H,15,18).
What are the key properties of 2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide?
2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 250.35 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 64589162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).