2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide

C13H20ClN3O — CID 79255705

IUPAC2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1cc(Cl)ccn1
InChIInChI=1S/C13H20ClN3O/c1-4-17(9-13(18)16-10(2)3)8-12-7-11(14)5-6-15-12/h5-7,10H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyAQWDXKOHFGBSTK-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.08
Rot. Bonds6

About 2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide

2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide (PubChem CID 79255705) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide
PubChem CID79255705
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1cc(Cl)ccn1
InChIInChI=1S/C13H20ClN3O/c1-4-17(9-13(18)16-10(2)3)8-12-7-11(14)5-6-15-12/h5-7,10H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyAQWDXKOHFGBSTK-UHFFFAOYSA-N
XLogP2.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide (CID 79255705) is 2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)Cc1cc(Cl)ccn1.
What is the InChIKey of 2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is AQWDXKOHFGBSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-4-17(9-13(18)16-10(2)3)8-12-7-11(14)5-6-15-12/h5-7,10H,4,8-9H2,1-3H3,(H,16,18).
What are the key properties of 2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide?
2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 269.78 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-pyridinyl)methyl-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 79255705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).