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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4,6-diamino-3-chloro-N-ethyl-2-fluoroanilino)-N-propan-2-ylacetamide
CID 103552879
2-(2-amino-6-chloro-N-ethylanilino)-N-propan-2-ylacetamide
CID 54986290
5-bromo-4-N-ethyl-4-N-prop-2-ynylpyridine-3,4-diamine
CID 130847903
5-bromo-4-N-ethyl-4-N-(2-methoxyethyl)pyridine-3,4-diamine
CID 103517846
2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide
CID 113412169
3,5-dibromo-N,N-diethylpyridin-4-amine
CID 22715019
2-[2-(aminomethyl)-3-bromo-N-ethylanilino]-N-propan-2-ylacetamide
CID 114879565
2-[(3-amino-6-methoxy-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide
CID 115320588
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 80804764
2-(4-acetyl-3-amino-N-ethylanilino)-N-propan-2-ylacetamide
CID 104528602
4-amino-N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-3-carboxamide
CID 65354414
2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80632069

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).