2-(5-bromo-3-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide

C15H15BrClN3O — CID 118104941

IUPAC2-(5-bromo-3-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1ccc(Cl)cn1)c1cncc(Br)c1
InChIInChI=1S/C15H15BrClN3O/c1-9(2)14(10-5-11(16)7-18-6-10)15(21)20-13-4-3-12(17)8-19-13/h3-9,14H,1-2H3,(H,19,20,21)
InChIKeyNIFUGZFUPRUZGB-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.27
Rot. Bonds4

About 2-(5-bromo-3-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide

2-(5-bromo-3-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide (PubChem CID 118104941) has the molecular formula C15H15BrClN3O and a molecular weight of 368.66 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
PubChem CID118104941
Molecular FormulaC15H15BrClN3O
Molecular Weight368.66 g/mol
Exact Mass367.01
IUPAC Name2-(5-bromo-3-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)Nc1ccc(Cl)cn1)c1cncc(Br)c1
InChIInChI=1S/C15H15BrClN3O/c1-9(2)14(10-5-11(16)7-18-6-10)15(21)20-13-4-3-12(17)8-19-13/h3-9,14H,1-2H3,(H,19,20,21)
InChIKeyNIFUGZFUPRUZGB-UHFFFAOYSA-N
XLogP4.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-[5-(trifluoromethyl)furan-2-yl]propanamide
CID 118104920
2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 76892362
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
2-(4-chlorophenyl)-3-methyl-N-pyrazin-2-ylbutanamide
CID 46226160
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 65226103
N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide
CID 55756646
2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide
CID 43245528
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-bromo-2-fluorobenzoate
CID 9387991
N-(5-bromo-2-pyridinyl)-2,2-bis(4-chlorophenyl)acetamide
CID 66848488
(2R)-2-(4-bromo-3-methylanilino)-N-(5-chloro-2-pyridinyl)propanamide
CID 25392276
(2R)-N-(5-chloro-2-pyridinyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 2536471
4-chloro-N-[1-[(5-chloro-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 43019519

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide (CID 118104941) is 2-(5-bromo-3-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide is CC(C)C(C(=O)Nc1ccc(Cl)cn1)c1cncc(Br)c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide?
The InChIKey is NIFUGZFUPRUZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3O/c1-9(2)14(10-5-11(16)7-18-6-10)15(21)20-13-4-3-12(17)8-19-13/h3-9,14H,1-2H3,(H,19,20,21).
What are the key properties of 2-(5-bromo-3-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide?
2-(5-bromo-3-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide has a molecular weight of 368.66 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide is sourced from PubChem (CID 118104941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).