5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide

C14H21BrN2O — CID 107909493

IUPAC5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide
SMILESCC(C)N(Cc1ccccn1)C(=O)CCCCBr
InChIInChI=1S/C14H21BrN2O/c1-12(2)17(14(18)8-3-5-9-15)11-13-7-4-6-10-16-13/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3
InChIKeySUSRYTQEIBTZOS-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.38
Rot. Bonds7

About 5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide

5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide (PubChem CID 107909493) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide
PubChem CID107909493
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide
SMILESCC(C)N(Cc1ccccn1)C(=O)CCCCBr
InChIInChI=1S/C14H21BrN2O/c1-12(2)17(14(18)8-3-5-9-15)11-13-7-4-6-10-16-13/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3
InChIKeySUSRYTQEIBTZOS-UHFFFAOYSA-N
XLogP3.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-2-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 114328230
3-methyl-5-oxo-5-[propan-2-yl(pyridin-2-ylmethyl)amino]pentanoic acid
CID 62964578
4-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 60956029
N-propan-2-yl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)acetamide
CID 51088398
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-propan-2-yl-N-(pyridin-2-ylmethyl)butanamide
CID 51123814
cis-(1S,2R)-2-methyl-N-[3-oxo-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propyl]cyclopropane-1-carboxamide
CID 94625593
3-methyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)but-2-enamide
CID 51088401
3-piperidin-2-yl-N-propan-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 62210038
5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide
CID 43565136
2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328653
(2R)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(pyridin-2-ylmethyl)butanamide
CID 103929297
4-bromo-3-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)benzamide
CID 80974170

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide?
The IUPAC name of 5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide (CID 107909493) is 5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide.
What is the SMILES notation for 5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide?
The canonical SMILES for 5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide is CC(C)N(Cc1ccccn1)C(=O)CCCCBr.
What is the InChIKey of 5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide?
The InChIKey is SUSRYTQEIBTZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-12(2)17(14(18)8-3-5-9-15)11-13-7-4-6-10-16-13/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3.
What are the key properties of 5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide?
5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide has a molecular weight of 313.24 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-propan-2-yl-N-(pyridin-2-ylmethyl)pentanamide is sourced from PubChem (CID 107909493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).