N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide

C12H18BrN3O — CID 79734413

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide
SMILESCc1cc(NC(=O)CCNC(C)C)ncc1Br
InChIInChI=1S/C12H18BrN3O/c1-8(2)14-5-4-12(17)16-11-6-9(3)10(13)7-15-11/h6-8,14H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyOLVAQCWLEBNKEO-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.48
Rot. Bonds5

About N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide

N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide (PubChem CID 79734413) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide
PubChem CID79734413
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide
SMILESCc1cc(NC(=O)CCNC(C)C)ncc1Br
InChIInChI=1S/C12H18BrN3O/c1-8(2)14-5-4-12(17)16-11-6-9(3)10(13)7-15-11/h6-8,14H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyOLVAQCWLEBNKEO-UHFFFAOYSA-N
XLogP2.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113340036
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734217
N-(5-bromo-4-methyl-2-pyridinyl)-4,4,4-trifluorobutanamide
CID 79730214
4-(2-aminoethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylhexanamide
CID 79734817
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-N-(2-methylpropyl)propanamide
CID 114869367
1-(5-bromo-4-methyl-2-pyridinyl)-3-(2-chloroethyl)urea
CID 121473135
N-(5-bromo-4-methyl-2-pyridinyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 79730231
2-(1-aminocyclopentyl)-N-(5-bromo-4-methyl-2-pyridinyl)acetamide
CID 79734126
(2S)-2-amino-N-(5-bromo-4-methyl-2-pyridinyl)propanamide
CID 79734122
N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide
CID 107574235
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-2-methylpropanamide
CID 79734420
N-(5-bromo-4-methyl-2-pyridinyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 79733802

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide (CID 79734413) is N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide is Cc1cc(NC(=O)CCNC(C)C)ncc1Br.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide?
The InChIKey is OLVAQCWLEBNKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-8(2)14-5-4-12(17)16-11-6-9(3)10(13)7-15-11/h6-8,14H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide?
N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide has a molecular weight of 300.20 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 79734413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).