2-[(3-amino-5-bromo-4-pyridinyl)-ethylamino]-N-propan-2-ylacetamide

C12H19BrN4O — CID 103517906

IUPAC2-[(3-amino-5-bromo-4-pyridinyl)-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1c(N)cncc1Br
InChIInChI=1S/C12H19BrN4O/c1-4-17(7-11(18)16-8(2)3)12-9(13)5-15-6-10(12)14/h5-6,8H,4,7,14H2,1-3H3,(H,16,18)
InChIKeyRTPZJUBYEGGJOK-UHFFFAOYSA-N
MW315.22 g/mol
LogP1.78
Rot. Bonds5

About 2-[(3-amino-5-bromo-4-pyridinyl)-ethylamino]-N-propan-2-ylacetamide

2-[(3-amino-5-bromo-4-pyridinyl)-ethylamino]-N-propan-2-ylacetamide (PubChem CID 103517906) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 2-[(3-amino-5-bromo-4-pyridinyl)-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3-amino-5-bromo-4-pyridinyl)-ethylamino]-N-propan-2-ylacetamide
PubChem CID103517906
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name2-[(3-amino-5-bromo-4-pyridinyl)-ethylamino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1c(N)cncc1Br
InChIInChI=1S/C12H19BrN4O/c1-4-17(7-11(18)16-8(2)3)12-9(13)5-15-6-10(12)14/h5-6,8H,4,7,14H2,1-3H3,(H,16,18)
InChIKeyRTPZJUBYEGGJOK-UHFFFAOYSA-N
XLogP1.78
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-bromo-4-pyridinyl)-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3-amino-5-bromo-4-pyridinyl)-ethylamino]-N-propan-2-ylacetamide (CID 103517906) is 2-[(3-amino-5-bromo-4-pyridinyl)-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3-amino-5-bromo-4-pyridinyl)-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3-amino-5-bromo-4-pyridinyl)-ethylamino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1c(N)cncc1Br.
What is the InChIKey of 2-[(3-amino-5-bromo-4-pyridinyl)-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is RTPZJUBYEGGJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-4-17(7-11(18)16-8(2)3)12-9(13)5-15-6-10(12)14/h5-6,8H,4,7,14H2,1-3H3,(H,16,18).
What are the key properties of 2-[(3-amino-5-bromo-4-pyridinyl)-ethylamino]-N-propan-2-ylacetamide?
2-[(3-amino-5-bromo-4-pyridinyl)-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 315.22 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-bromo-4-pyridinyl)-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 103517906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).