2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide

C11H17BrN4O — CID 113420397

IUPAC2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ncc(N)c(C)c1Br
InChIInChI=1S/C11H17BrN4O/c1-3-4-14-9(17)6-16-11-10(12)7(2)8(13)5-15-11/h5H,3-4,6,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyFGXGDHRLAPTLAP-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.67
Rot. Bonds5

About 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide

2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide (PubChem CID 113420397) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide
PubChem CID113420397
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1ncc(N)c(C)c1Br
InChIInChI=1S/C11H17BrN4O/c1-3-4-14-9(17)6-16-11-10(12)7(2)8(13)5-15-11/h5H,3-4,6,13H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyFGXGDHRLAPTLAP-UHFFFAOYSA-N
XLogP1.67
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)amino]-N-propylacetamide
CID 104507787
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide
CID 104506470
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106166830
2-[(5-bromopyrimidin-2-yl)amino]-N-propylacetamide
CID 63872824
3-bromo-4-methyl-2-N-(2-methylbutan-2-yl)pyridine-2,5-diamine
CID 104506284
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 104507008
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]amino]-N-propylacetamide
CID 80787327
3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
CID 104506832
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 104506759
2-[(2-chloro-5-methylpyrimidin-4-yl)amino]-N-propylacetamide
CID 79075450
2-[(5-amino-6-chloropyrimidin-4-yl)amino]-N-propylacetamide
CID 63023413

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide?
The IUPAC name of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide (CID 113420397) is 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide is CCCNC(=O)CNc1ncc(N)c(C)c1Br.
What is the InChIKey of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide?
The InChIKey is FGXGDHRLAPTLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-3-4-14-9(17)6-16-11-10(12)7(2)8(13)5-15-11/h5H,3-4,6,13H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide?
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide has a molecular weight of 301.19 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]-N-propylacetamide is sourced from PubChem (CID 113420397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).