2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide

C14H19BrN2O — CID 54874663

IUPAC2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)C(Br)C(=O)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C14H19BrN2O/c1-10(2)13(15)14(18)17(12-5-6-12)9-11-4-3-7-16-8-11/h3-4,7-8,10,12-13H,5-6,9H2,1-2H3
InChIKeyJJPNSGUDAHNYGZ-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.99
Rot. Bonds5

About 2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide

2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 54874663) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
PubChem CID54874663
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide
SMILESCC(C)C(Br)C(=O)N(Cc1cccnc1)C1CC1
InChIInChI=1S/C14H19BrN2O/c1-10(2)13(15)14(18)17(12-5-6-12)9-11-4-3-7-16-8-11/h3-4,7-8,10,12-13H,5-6,9H2,1-2H3
InChIKeyJJPNSGUDAHNYGZ-UHFFFAOYSA-N
XLogP2.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497568
N-cyclopropyl-2-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 51096504
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
N-cyclopropyl-2-(cyclopropylmethylamino)-N-(pyridin-3-ylmethyl)acetamide
CID 54869938
3-[cyclopropyl-[(3-pyridin-3-ylphenyl)methyl]amino]-2-methyl-3-oxopropanoic acid
CID 122066362
2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate
CID 79346079
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
2-anilino-N-cyclopropyl-N-(pyridin-3-ylmethyl)acetamide
CID 60937842
2-bromo-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 107904634
2-amino-4-bromo-N-cyclopropyl-N-(pyridin-3-ylmethyl)benzamide
CID 79705171
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
2-cyclopropyl-N-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 110613046

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The IUPAC name of 2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide (CID 54874663) is 2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide is CC(C)C(Br)C(=O)N(Cc1cccnc1)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
The InChIKey is JJPNSGUDAHNYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10(2)13(15)14(18)17(12-5-6-12)9-11-4-3-7-16-8-11/h3-4,7-8,10,12-13H,5-6,9H2,1-2H3.
What are the key properties of 2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide?
2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 311.22 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-3-methyl-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 54874663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).